3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide

C19H31N3O — CID 119899227

IUPAC3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1CCCC(N)C1)N(C)Cc1ccccc1
InChIInChI=1S/C19H31N3O/c1-15(22(2)14-16-7-4-3-5-8-16)11-12-21-19(23)17-9-6-10-18(20)13-17/h3-5,7-8,15,17-18H,6,9-14,20H2,1-2H3,(H,21,23)
InChIKeyLJGRVHGMECPJSP-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds7

About 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide

3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide (PubChem CID 119899227) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
PubChem CID119899227
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1CCCC(N)C1)N(C)Cc1ccccc1
InChIInChI=1S/C19H31N3O/c1-15(22(2)14-16-7-4-3-5-8-16)11-12-21-19(23)17-9-6-10-18(20)13-17/h3-5,7-8,15,17-18H,6,9-14,20H2,1-2H3,(H,21,23)
InChIKeyLJGRVHGMECPJSP-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[3-[benzyl(methyl)amino]butyl]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

3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899255
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
CID 111565556
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide (CID 119899227) is 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide is CC(CCNC(=O)C1CCCC(N)C1)N(C)Cc1ccccc1.
What is the InChIKey of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
The InChIKey is LJGRVHGMECPJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(22(2)14-16-7-4-3-5-8-16)11-12-21-19(23)17-9-6-10-18(20)13-17/h3-5,7-8,15,17-18H,6,9-14,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119899227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).