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

C19H31N3O — CID 119899255

IUPAC1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1(N)CCCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C19H31N3O/c1-16(22(2)15-17-9-5-3-6-10-17)11-14-21-18(23)19(20)12-7-4-8-13-19/h3,5-6,9-10,16H,4,7-8,11-15,20H2,1-2H3,(H,21,23)
InChIKeyIEVZNNMTTDDRSP-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.67
Rot. Bonds7

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

1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide (PubChem CID 119899255) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
PubChem CID119899255
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
SMILESCC(CCNC(=O)C1(N)CCCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C19H31N3O/c1-16(22(2)15-17-9-5-3-6-10-17)11-14-21-18(23)19(20)12-7-4-8-13-19/h3,5-6,9-10,16H,4,7-8,11-15,20H2,1-2H3,(H,21,23)
InChIKeyIEVZNNMTTDDRSP-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[benzyl(methyl)amino]butyl]-1-hydroxycyclopentane-1-carboxamide
CID 111565556
N-[3-[benzyl(methyl)amino]butyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111560761
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
1-amino-N-[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119287101
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899227
3-amino-N-[3-[benzyl(methyl)amino]butyl]-3-phenylpropanamide;dihydrochloride
CID 119954189
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
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1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide (CID 119899255) is 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide is CC(CCNC(=O)C1(N)CCCCC1)N(C)Cc1ccccc1.
What is the InChIKey of 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
The InChIKey is IEVZNNMTTDDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(22(2)15-17-9-5-3-6-10-17)11-14-21-18(23)19(20)12-7-4-8-13-19/h3,5-6,9-10,16H,4,7-8,11-15,20H2,1-2H3,(H,21,23).
What are the key properties of 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide?
1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119899255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).