N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide

C21H38N2O — CID 146867434

IUPACN-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1CNC1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H38N2O/c1-23(19-13-6-3-7-14-19)21(24)20-15-9-8-10-17(20)16-22-18-11-4-2-5-12-18/h17-20,22H,2-16H2,1H3
InChIKeySMNGRZINUKSNNP-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.51
Rot. Bonds5

About N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide

N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 146867434) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID146867434
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC NameN-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1CNC1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H38N2O/c1-23(19-13-6-3-7-14-19)21(24)20-15-9-8-10-17(20)16-22-18-11-4-2-5-12-18/h17-20,22H,2-16H2,1H3
InChIKeySMNGRZINUKSNNP-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide (CID 146867434) is N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide is CN(C(=O)C1CCCCC1CNC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is SMNGRZINUKSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-23(19-13-6-3-7-14-19)21(24)20-15-9-8-10-17(20)16-22-18-11-4-2-5-12-18/h17-20,22H,2-16H2,1H3.
What are the key properties of N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide?
N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 334.55 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(cyclohexylamino)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 146867434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).