1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride

C20H33Cl2N3O — CID 119884983

IUPAC1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-22(19(24)20(21)11-6-3-7-12-20)14-18-10-13-23(16-18)15-17-8-4-2-5-9-17;;/h2,4-5,8-9,18H,3,6-7,10-16,21H2,1H3;2*1H
InChIKeyGUIYSESXTVWVTD-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.47
Rot. Bonds5

About 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119884983) has the molecular formula C20H33Cl2N3O and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
PubChem CID119884983
Molecular FormulaC20H33Cl2N3O
Molecular Weight402.41 g/mol
Exact Mass401.20
IUPAC Name1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C20H31N3O.2ClH/c1-22(19(24)20(21)11-6-3-7-12-20)14-18-10-13-23(16-18)15-17-8-4-2-5-9-17;;/h2,4-5,8-9,18H,3,6-7,10-16,21H2,1H3;2*1H
InChIKeyGUIYSESXTVWVTD-UHFFFAOYSA-N
XLogP3.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
1-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 63273710
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
1-amino-N-(cyclopropylmethyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119297257
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 11697139
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride (CID 119884983) is 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride is CN(CC1CCN(Cc2ccccc2)C1)C(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is GUIYSESXTVWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.2ClH/c1-22(19(24)20(21)11-6-3-7-12-20)14-18-10-13-23(16-18)15-17-8-4-2-5-9-17;;/h2,4-5,8-9,18H,3,6-7,10-16,21H2,1H3;2*1H.
What are the key properties of 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 402.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119884983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).