2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride

C17H29Cl2N3O — CID 119884933

IUPAC2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-17(2,18)16(21)19(3)11-15-9-10-20(13-15)12-14-7-5-4-6-8-14;;/h4-8,15H,9-13,18H2,1-3H3;2*1H
InChIKeyNWDAWFAGBIDMPC-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride (PubChem CID 119884933) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
PubChem CID119884933
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-17(2,18)16(21)19(3)11-15-9-10-20(13-15)12-14-7-5-4-6-8-14;;/h4-8,15H,9-13,18H2,1-3H3;2*1H
InChIKeyNWDAWFAGBIDMPC-UHFFFAOYSA-N
XLogP2.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 11697139
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119884957
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride (CID 119884933) is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride is CN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)N.Cl.Cl.
What is the InChIKey of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride?
The InChIKey is NWDAWFAGBIDMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-17(2,18)16(21)19(3)11-15-9-10-20(13-15)12-14-7-5-4-6-8-14;;/h4-8,15H,9-13,18H2,1-3H3;2*1H.
What are the key properties of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride?
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride is sourced from PubChem (CID 119884933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).