1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride

C17H29Cl2N3O2 — CID 119844438

IUPAC1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C)CCOc1cccc(NC(=O)C2(CN)CCCC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)10-11-22-15-7-5-6-14(12-15)19-16(21)17(13-18)8-3-4-9-17;;/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21);2*1H
InChIKeyQHJUWMWYECXJHZ-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.93
Rot. Bonds7

About 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride

1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119844438) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119844438
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(C)CCOc1cccc(NC(=O)C2(CN)CCCC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-20(2)10-11-22-15-7-5-6-14(12-15)19-16(21)17(13-18)8-3-4-9-17;;/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21);2*1H
InChIKeyQHJUWMWYECXJHZ-UHFFFAOYSA-N
XLogP2.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106825950
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119844438) is 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride is CN(C)CCOc1cccc(NC(=O)C2(CN)CCCC2)c1.Cl.Cl.
What is the InChIKey of 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is QHJUWMWYECXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-20(2)10-11-22-15-7-5-6-14(12-15)19-16(21)17(13-18)8-3-4-9-17;;/h5-7,12H,3-4,8-11,13,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride?
1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119844438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).