1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one

C16H25N3O — CID 107441227

IUPAC1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
SMILESCC(C)C(CN)CNc1ccccc1N1CCCC1=O
InChIInChI=1S/C16H25N3O/c1-12(2)13(10-17)11-18-14-6-3-4-7-15(14)19-9-5-8-16(19)20/h3-4,6-7,12-13,18H,5,8-11,17H2,1-2H3
InChIKeyKTWKAXHVZQSXLE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one

1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one (PubChem CID 107441227) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
PubChem CID107441227
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
SMILESCC(C)C(CN)CNc1ccccc1N1CCCC1=O
InChIInChI=1S/C16H25N3O/c1-12(2)13(10-17)11-18-14-6-3-4-7-15(14)19-9-5-8-16(19)20/h3-4,6-7,12-13,18H,5,8-11,17H2,1-2H3
InChIKeyKTWKAXHVZQSXLE-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
CID 107441483
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576
N-(1-methoxypropan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 51260899
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 41395637
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one (CID 107441227) is 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one is CC(C)C(CN)CNc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is KTWKAXHVZQSXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)13(10-17)11-18-14-6-3-4-7-15(14)19-9-5-8-16(19)20/h3-4,6-7,12-13,18H,5,8-11,17H2,1-2H3.
What are the key properties of 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one?
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 107441227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).