2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride

C15H25Cl2N3O — CID 119947270

IUPAC2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
SMILESCN(C)C1CCCC(NC(=O)c2ccccc2N)C1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-18(2)12-7-5-6-11(10-12)17-15(19)13-8-3-4-9-14(13)16;;/h3-4,8-9,11-12H,5-7,10,16H2,1-2H3,(H,17,19);2*1H
InChIKeyRKVXXMYJYNMDKN-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride

2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride (PubChem CID 119947270) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
PubChem CID119947270
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
SMILESCN(C)C1CCCC(NC(=O)c2ccccc2N)C1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-18(2)12-7-5-6-11(10-12)17-15(19)13-8-3-4-9-14(13)16;;/h3-4,8-9,11-12H,5-7,10,16H2,1-2H3,(H,17,19);2*1H
InChIKeyRKVXXMYJYNMDKN-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride 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

2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
CID 119889091
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
CID 162527967
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
CID 120597033
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride (CID 119947270) is 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride is CN(C)C1CCCC(NC(=O)c2ccccc2N)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride?
The InChIKey is RKVXXMYJYNMDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-18(2)12-7-5-6-11(10-12)17-15(19)13-8-3-4-9-14(13)16;;/h3-4,8-9,11-12H,5-7,10,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride?
2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride is sourced from PubChem (CID 119947270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).