3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride

C17H29Cl2N3O — CID 119851139

IUPAC3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
SMILESCN(CCCNC(=O)c1cccc(N)c1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-20(16-9-3-2-4-10-16)12-6-11-19-17(21)14-7-5-8-15(18)13-14;;/h5,7-8,13,16H,2-4,6,9-12,18H2,1H3,(H,19,21);2*1H
InChIKeyQYRGLHMIQGEAKQ-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.50
Rot. Bonds6

About 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride (PubChem CID 119851139) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
PubChem CID119851139
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
SMILESCN(CCCNC(=O)c1cccc(N)c1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-20(16-9-3-2-4-10-16)12-6-11-19-17(21)14-7-5-8-15(18)13-14;;/h5,7-8,13,16H,2-4,6,9-12,18H2,1H3,(H,19,21);2*1H
InChIKeyQYRGLHMIQGEAKQ-UHFFFAOYSA-N
XLogP3.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119766801
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride (CID 119851139) is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride is CN(CCCNC(=O)c1cccc(N)c1)C1CCCCC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride?
The InChIKey is QYRGLHMIQGEAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-20(16-9-3-2-4-10-16)12-6-11-19-17(21)14-7-5-8-15(18)13-14;;/h5,7-8,13,16H,2-4,6,9-12,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride?
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119851139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).