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

C17H27N3O — CID 63046098

IUPAC3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C17H27N3O/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)
InChIKeyCHQNNKIPQWCNLN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.92
Rot. Bonds5

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

3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide (PubChem CID 63046098) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
PubChem CID63046098
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C17H27N3O/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)
InChIKeyCHQNNKIPQWCNLN-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
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
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 119795763
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide (CID 63046098) is 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide is CN(C)C(CNC(=O)C1CCCC(N)C1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
The InChIKey is CHQNNKIPQWCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/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).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 1.92, 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 is sourced from PubChem (CID 63046098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).