Summary

IMPPAT Phytochemical identifier: IMPHY016266

Phytochemical name: 2-Methyladamantane

Synonymous chemical names:
2-methyladamantane

External chemical identifiers:
CID:136535, ZINC:ZINC000002558883, SureChEMBL:SCHEMBL36159, MolPort-023-224-028

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Chemical structure information

SMILES:
CC1C2CC3CC1CC(C2)C3

InChI:
InChI=1S/C11H18/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h7-11H,2-6H2,1H3

InChIKey:
VMODAALDMAYACB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCC8)C6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP-Likeness score: 0.225

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Chemical structure download