1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride

C16H27Cl2N3O — CID 119831631

IUPAC1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CCCNC(=O)C1(N)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-19(14-8-3-2-4-9-14)13-7-12-18-15(20)16(17)10-5-6-11-16;;/h2-4,8-9H,5-7,10-13,17H2,1H3,(H,18,20);2*1H
InChIKeyXWECODDQEQJZAH-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.74
Rot. Bonds6

About 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119831631) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119831631
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN(CCCNC(=O)C1(N)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-19(14-8-3-2-4-9-14)13-7-12-18-15(20)16(17)10-5-6-11-16;;/h2-4,8-9H,5-7,10-13,17H2,1H3,(H,18,20);2*1H
InChIKeyXWECODDQEQJZAH-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-N'-hydroxycarbamimidoyl]-N-[3-(N-methylanilino)propyl]cyclopropane-1-carboxamide
CID 80593151
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119881701
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
CID 39642729
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119831631) is 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride is CN(CCCNC(=O)C1(N)CCCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is XWECODDQEQJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-19(14-8-3-2-4-9-14)13-7-12-18-15(20)16(17)10-5-6-11-16;;/h2-4,8-9H,5-7,10-13,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119831631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).