2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 119852810

IUPAC2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCCC2N)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-20(4-2)12-13-7-5-8-14(11-13)19-17(21)15-9-6-10-16(15)18;;/h5,7-8,11,15-16H,3-4,6,9-10,12,18H2,1-2H3,(H,19,21);2*1H
InChIKeyMZEYAXKNEZGPCB-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.44
Rot. Bonds6

About 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119852810) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119852810
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CC)Cc1cccc(NC(=O)C2CCCC2N)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-20(4-2)12-13-7-5-8-14(11-13)19-17(21)15-9-6-10-16(15)18;;/h5,7-8,11,15-16H,3-4,6,9-10,12,18H2,1-2H3,(H,19,21);2*1H
InChIKeyMZEYAXKNEZGPCB-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
CID 66240637
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119852810) is 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is CCN(CC)Cc1cccc(NC(=O)C2CCCC2N)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is MZEYAXKNEZGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-3-20(4-2)12-13-7-5-8-14(11-13)19-17(21)15-9-6-10-16(15)18;;/h5,7-8,11,15-16H,3-4,6,9-10,12,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119852810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).