2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol

C15H27NO — CID 103276867

IUPAC2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC1=CC(C)CC(CNCC2CCCC2O)C1
InChIInChI=1S/C15H27NO/c1-11-6-12(2)8-13(7-11)9-16-10-14-4-3-5-15(14)17/h6,11,13-17H,3-5,7-10H2,1-2H3
InChIKeyGCJRXJIGYVTGRL-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.73
Rot. Bonds4

About 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol

2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103276867) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103276867
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCC1=CC(C)CC(CNCC2CCCC2O)C1
InChIInChI=1S/C15H27NO/c1-11-6-12(2)8-13(7-11)9-16-10-14-4-3-5-15(14)17/h6,11,13-17H,3-5,7-10H2,1-2H3
InChIKeyGCJRXJIGYVTGRL-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol (CID 103276867) is 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol is CC1=CC(C)CC(CNCC2CCCC2O)C1.
What is the InChIKey of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is GCJRXJIGYVTGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-6-12(2)8-13(7-11)9-16-10-14-4-3-5-15(14)17/h6,11,13-17H,3-5,7-10H2,1-2H3.
What are the key properties of 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol?
2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103276867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).