3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one

C9H18N2O — CID 53393252

IUPAC3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-9(2,10)7-8(12)11-5-3-4-6-11/h3-7,10H2,1-2H3
InChIKeyAVEALSCKRLLILA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.74
Rot. Bonds2

About 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one

3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 53393252) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID53393252
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O/c1-9(2,10)7-8(12)11-5-3-4-6-11/h3-7,10H2,1-2H3
InChIKeyAVEALSCKRLLILA-UHFFFAOYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 53501666
4-(Aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one
CID 44827665
1-Ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
CID 45791026
4-(Aminomethyl)-1-tert-butylpyrrolidin-2-one
CID 45791057
3-Amino-2,2-dimethyl-1-(pyrrolidin-1-yl)propan-1-one
CID 61827644
3-(Aminomethyl)-1-methylpyrrolidin-2-one
CID 79370538
N-tert-butyl-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 53501416
1-(cyclopropylmethyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 53501503
1-ethyl-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 53501629
4-(Aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one hydrochloride
CID 45595791
N-isopropyl-3-(pyrrolidin-1-yl)propanamide
CID 110688110
(2S)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 94607126

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one (CID 53393252) is 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one is CC(C)(N)CC(=O)N1CCCC1.
What is the InChIKey of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is AVEALSCKRLLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,10)7-8(12)11-5-3-4-6-11/h3-7,10H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one?
3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 53393252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).