Summary

IMPPAT Phytochemical identifier: IMPHY012107

Phytochemical name: Adamantane

Synonymous chemical names:
adamantane, adamantane (c10h16)

External chemical identifiers:
CID:9238, ChEMBL:CHEMBL1230831, ChEBI:40519, ZINC:ZINC000001271109, FDASRS:PJY633525U, SureChEMBL:SCHEMBL12761, MolPort-001-766-730

---

Chemical structure information

SMILES:
C1C2CC3CC1CC(C2)C3

InChI:
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2

InChIKey:
ORILYTVJVMAKLC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6CCC8)C6

---

Molecular scaffolds

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

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP-Likeness score: -0.056

---

Chemical structure download