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

C17H27N3O — CID 61250903

IUPAC1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(N)CCCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-20(2)15(14-9-5-3-6-10-14)13-19-16(21)17(18)11-7-4-8-12-17/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21)
InChIKeyWQVZSDTZLWZOHK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds5

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

1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 61250903) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
PubChem CID61250903
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(N)CCCCC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-20(2)15(14-9-5-3-6-10-14)13-19-16(21)17(18)11-7-4-8-12-17/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21)
InChIKeyWQVZSDTZLWZOHK-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
1-amino-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119278900
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
1-amino-N-(2,3-diphenylpropyl)cyclopentane-1-carboxamide
CID 119335236
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide (CID 61250903) is 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide is CN(C)C(CNC(=O)C1(N)CCCCC1)c1ccccc1.
What is the InChIKey of 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is WQVZSDTZLWZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(2)15(14-9-5-3-6-10-14)13-19-16(21)17(18)11-7-4-8-12-17/h3,5-6,9-10,15H,4,7-8,11-13,18H2,1-2H3,(H,19,21).
What are the key properties of 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61250903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).