1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride

C16H26Cl3N3O — CID 119832261

IUPAC1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1(N)CCCC1)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C16H24ClN3O.2ClH/c1-20(2)14(12-7-3-4-8-13(12)17)11-19-15(21)16(18)9-5-6-10-16;;/h3-4,7-8,14H,5-6,9-11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyUPHNSNAOTQATSP-UHFFFAOYSA-N
MW382.76 g/mol
LogP3.17
Rot. Bonds5

About 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119832261) has the molecular formula C16H26Cl3N3O and a molecular weight of 382.76 g/mol. Its IUPAC name is 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119832261
Molecular FormulaC16H26Cl3N3O
Molecular Weight382.76 g/mol
Exact Mass381.11
IUPAC Name1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1(N)CCCC1)c1ccccc1Cl.Cl.Cl
InChIInChI=1S/C16H24ClN3O.2ClH/c1-20(2)14(12-7-3-4-8-13(12)17)11-19-15(21)16(18)9-5-6-10-16;;/h3-4,7-8,14H,5-6,9-11,18H2,1-2H3,(H,19,21);2*1H
InChIKeyUPHNSNAOTQATSP-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.76
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61250903
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679
7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
CID 119832233
1-amino-N-(2-methoxy-2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119278900
4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797063
1-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
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2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119832261) is 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride is CN(C)C(CNC(=O)C1(N)CCCC1)c1ccccc1Cl.Cl.Cl.
What is the InChIKey of 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is UPHNSNAOTQATSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.2ClH/c1-20(2)14(12-7-3-4-8-13(12)17)11-19-15(21)16(18)9-5-6-10-16;;/h3-4,7-8,14H,5-6,9-11,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 382.76 g/mol, XLogP of 3.17, 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-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119832261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).