Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018064

Phytochemical name: 1,3-Dimethyl-5,7-di-n-propyladamantane

Synonymous chemical names:
1,3-Dimethyl-5,7-di-n-propyladamantane

External chemical identifiers:
CID:CID_609506

---

Chemical structure information

SMILES:
CCCC12CC3(CCC)CC(C2)(CC(C1)(C3)C)C

InChI:
InChI=1S/C18H32/c1-5-7-17-10-15(3)9-16(4,11-17)13-18(12-15,14-17)8-6-2/h5-14H2,1-4H3

InChIKey:
WNMVIAVIVLKVQY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC)))CCC6)CCC8)C6)C)))C

---

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 Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 0.272

---

Chemical structure download