1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol

C18H35NO — CID 79123452

IUPAC1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H35NO/c1-4-5-16-6-8-17(13-19,9-7-16)18(20)11-14(2)10-15(3)12-18/h14-16,20H,4-13,19H2,1-3H3
InChIKeyHGPMWLFVFFUFLO-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.11
Rot. Bonds4

About 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol

1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 79123452) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID79123452
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CC(C)CC(C)C2)CC1
InChIInChI=1S/C18H35NO/c1-4-5-16-6-8-17(13-19,9-7-16)18(20)11-14(2)10-15(3)12-18/h14-16,20H,4-13,19H2,1-3H3
InChIKeyHGPMWLFVFFUFLO-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol (CID 79123452) is 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol is CCCC1CCC(CN)(C2(O)CC(C)CC(C)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is HGPMWLFVFFUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-5-16-6-8-17(13-19,9-7-16)18(20)11-14(2)10-15(3)12-18/h14-16,20H,4-13,19H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79123452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).