2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide

C17H27N3O — CID 43275576

IUPAC2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(C)c1ccc(CN)cc1
InChIInChI=1S/C17H27N3O/c1-13(17(21)19-15-6-4-3-5-7-15)20(2)16-10-8-14(12-18)9-11-16/h8-11,13,15H,3-7,12,18H2,1-2H3,(H,19,21)
InChIKeyKNFHUMNZKNATNZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide

2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide (PubChem CID 43275576) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
PubChem CID43275576
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(C)c1ccc(CN)cc1
InChIInChI=1S/C17H27N3O/c1-13(17(21)19-15-6-4-3-5-7-15)20(2)16-10-8-14(12-18)9-11-16/h8-11,13,15H,3-7,12,18H2,1-2H3,(H,19,21)
InChIKeyKNFHUMNZKNATNZ-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide 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

1-[4-(aminomethyl)phenyl]-3-cyclobutyl-1-methylurea
CID 116658108
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
N-(cyclopentylcarbamoyl)-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78818923
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide (CID 43275576) is 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N(C)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide?
The InChIKey is KNFHUMNZKNATNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(17(21)19-15-6-4-3-5-7-15)20(2)16-10-8-14(12-18)9-11-16/h8-11,13,15H,3-7,12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide?
2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-methylanilino]-N-cyclohexylpropanamide is sourced from PubChem (CID 43275576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).