1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C19H33Cl2N3O — CID 119836114

IUPAC1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)15-17-11-7-6-10-16(17)14-21-18(23)19(20)12-8-5-9-13-19;;/h6-7,10-11H,3-5,8-9,12-15,20H2,1-2H3,(H,21,23);2*1H
InChIKeyYXWILJOTUUAFJN-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.65
Rot. Bonds7

About 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119836114) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119836114
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC Name1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)15-17-11-7-6-10-16(17)14-21-18(23)19(20)12-8-5-9-13-19;;/h6-7,10-11H,3-5,8-9,12-15,20H2,1-2H3,(H,21,23);2*1H
InChIKeyYXWILJOTUUAFJN-UHFFFAOYSA-N
XLogP3.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;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

1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438029
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013782
1-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119864986
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119836114) is 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is CCN(CC)Cc1ccccc1CNC(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is YXWILJOTUUAFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)15-17-11-7-6-10-16(17)14-21-18(23)19(20)12-8-5-9-13-19;;/h6-7,10-11H,3-5,8-9,12-15,20H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119836114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).