2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride

C18H31Cl2N3O — CID 119897569

IUPAC2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
SMILESCCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-4-21(17(22)18(2,3)19)14-16-10-11-20(13-16)12-15-8-6-5-7-9-15;;/h5-9,16H,4,10-14,19H2,1-3H3;2*1H
InChIKeyMQBBJODHUZKYPQ-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.94
Rot. Bonds6

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

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride (PubChem CID 119897569) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
PubChem CID119897569
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
SMILESCCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-4-21(17(22)18(2,3)19)14-16-10-11-20(13-16)12-15-8-6-5-7-9-15;;/h5-9,16H,4,10-14,19H2,1-3H3;2*1H
InChIKeyMQBBJODHUZKYPQ-UHFFFAOYSA-N
XLogP2.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1,5-dimethylpyrrole-2-carboxamide
CID 71989448
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605
(3S)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-N-ethyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 99792793
1-benzyl-3-ethylpyrrolidine
CID 12648208
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride (CID 119897569) is 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride is CCN(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-ethyl-2-methylpropanamide;dihydrochloride?
The InChIKey is MQBBJODHUZKYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-4-21(17(22)18(2,3)19)14-16-10-11-20(13-16)12-15-8-6-5-7-9-15;;/h5-9,16H,4,10-14,19H2,1-3H3;2*1H.
What are the key properties of 2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride?
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 2.94, 6 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-ethyl-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119897569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).