1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide

C16H28N2O — CID 115437246

IUPAC1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C16H28N2O/c17-13-16(10-5-2-6-11-16)15(19)18-12-9-14-7-3-1-4-8-14/h7H,1-6,8-13,17H2,(H,18,19)
InChIKeyLEXFCBBKRJNVLN-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 115437246) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID115437246
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C16H28N2O/c17-13-16(10-5-2-6-11-16)15(19)18-12-9-14-7-3-1-4-8-14/h7H,1-6,8-13,17H2,(H,18,19)
InChIKeyLEXFCBBKRJNVLN-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 114154046
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
1-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 64550463
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 33237082
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide (CID 115437246) is 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide is NCC1(C(=O)NCCC2=CCCCC2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is LEXFCBBKRJNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c17-13-16(10-5-2-6-11-16)15(19)18-12-9-14-7-3-1-4-8-14/h7H,1-6,8-13,17H2,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).