2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide

C9H17N3O — CID 130524236

IUPAC2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide
SMILES[H]/N=C1\CCCN1C(C)(CC)C(N)=O
InChIInChI=1S/C9H17N3O/c1-3-9(2,8(11)13)12-6-4-5-7(12)10/h10H,3-6H2,1-2H3,(H2,11,13)/b10-7+
InChIKeyFXTTVJNKXVFNEP-JXMROGBWSA-N
MW183.25 g/mol
LogP0.71
Rot. Bonds3

About 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide

2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide (PubChem CID 130524236) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide
PubChem CID130524236
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide
SMILES[H]/N=C1\CCCN1C(C)(CC)C(N)=O
InChIInChI=1S/C9H17N3O/c1-3-9(2,8(11)13)12-6-4-5-7(12)10/h10H,3-6H2,1-2H3,(H2,11,13)/b10-7+
InChIKeyFXTTVJNKXVFNEP-JXMROGBWSA-N
XLogP0.71
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-iminopyrrolidin-1-yl)-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

2-(2-iminopiperidin-1-yl)-3-methylbutanamide
CID 106345837
2-(2-iminopyrrolidin-1-yl)-1-(4-methylphenyl)ethanone bromide
CID 21203759
2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide
CID 106238500
2-methyl-2-piperidin-1-ylpentanamide
CID 67908244
2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide
CID 61480079
1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
CID 20994507
2-(2,6-dioxopiperidin-1-yl)-2-methylbutanethioamide
CID 61123321
1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine
CID 64695514
2-(2,5-dioxopyrrolidin-1-yl)-2-methylbutanethioamide
CID 61123128
2-methyl-2-(piperidin-1-ylmethyl)butanamide
CID 67635187
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
1-heptan-2-ylpyrrolidin-2-imine
CID 61464901

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide (CID 130524236) is 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide is [H]/N=C1\CCCN1C(C)(CC)C(N)=O.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide?
The InChIKey is FXTTVJNKXVFNEP-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(2,8(11)13)12-6-4-5-7(12)10/h10H,3-6H2,1-2H3,(H2,11,13)/b10-7+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide?
2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopyrrolidin-1-yl)-2-methylbutanamide is sourced from PubChem (CID 130524236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).