3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 119862239

IUPAC3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1CCCC(N)C1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-20(13-14-6-3-2-4-7-14)11-10-19-17(21)15-8-5-9-16(18)12-15;;/h2-4,6-7,15-16H,5,8-13,18H2,1H3,(H,19,21);2*1H
InChIKeyMHYOYEIUOZVLTE-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.60
Rot. Bonds6

About 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119862239) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119862239
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1CCCC(N)C1)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-20(13-14-6-3-2-4-7-14)11-10-19-17(21)15-8-5-9-16(18)12-15;;/h2-4,6-7,15-16H,5,8-13,18H2,1H3,(H,19,21);2*1H
InChIKeyMHYOYEIUOZVLTE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899227
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875229
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclopentane-1-carboxamide
CID 119899223
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119862239) is 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride is CN(CCNC(=O)C1CCCC(N)C1)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is MHYOYEIUOZVLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-20(13-14-6-3-2-4-7-14)11-10-19-17(21)15-8-5-9-16(18)12-15;;/h2-4,6-7,15-16H,5,8-13,18H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119862239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).