2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine

C16H29NO — CID 156624727

IUPAC2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine
SMILESCOC1CCC(CNCCC2=CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h5,15-17H,2-4,6-13H2,1H3
InChIKeyKUYMROIGSBGMQA-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine (PubChem CID 156624727) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine
PubChem CID156624727
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine
SMILESCOC1CCC(CNCCC2=CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h5,15-17H,2-4,6-13H2,1H3
InChIKeyKUYMROIGSBGMQA-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine 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-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine (CID 156624727) is 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine is COC1CCC(CNCCC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine?
The InChIKey is KUYMROIGSBGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-18-16-9-7-15(8-10-16)13-17-12-11-14-5-3-2-4-6-14/h5,15-17H,2-4,6-13H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(4-methoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 156624727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).