2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide

C12H25N3O — CID 79797670

IUPAC2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
SMILESCCN1CCCC1CNC(=O)C(C)(N)CC
InChIInChI=1S/C12H25N3O/c1-4-12(3,13)11(16)14-9-10-7-6-8-15(10)5-2/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyUSKUZVDUUYDHGT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide (PubChem CID 79797670) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
PubChem CID79797670
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
SMILESCCN1CCCC1CNC(=O)C(C)(N)CC
InChIInChI=1S/C12H25N3O/c1-4-12(3,13)11(16)14-9-10-7-6-8-15(10)5-2/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyUSKUZVDUUYDHGT-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide 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-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031263
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62821275
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide
CID 111032192
1-cyclopentyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 110991413
N-tert-butyl-2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111262119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide (CID 79797670) is 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide is CCN1CCCC1CNC(=O)C(C)(N)CC.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide?
The InChIKey is USKUZVDUUYDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(3,13)11(16)14-9-10-7-6-8-15(10)5-2/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide?
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 79797670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).