3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 119828747

IUPAC3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1CCCC(N)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-20(2)16(13-7-4-3-5-8-13)12-19-17(21)14-9-6-10-15(18)11-14;;/h3-5,7-8,14-16H,6,9-12,18H2,1-2H3,(H,19,21);2*1H
InChIKeyPTBOCXNOJKJOSX-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.77
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119828747) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119828747
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1CCCC(N)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-20(2)16(13-7-4-3-5-8-13)12-19-17(21)14-9-6-10-15(18)11-14;;/h3-5,7-8,14-16H,6,9-12,18H2,1-2H3,(H,19,21);2*1H
InChIKeyPTBOCXNOJKJOSX-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 119889376
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119828747) is 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride is CN(C)C(CNC(=O)C1CCCC(N)C1)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is PTBOCXNOJKJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-20(2)16(13-7-4-3-5-8-13)12-19-17(21)14-9-6-10-15(18)11-14;;/h3-5,7-8,14-16H,6,9-12,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).