3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine

C9H17N3 — CID 146816561

IUPAC3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine
SMILESC/N=C(\C)C(=CN)C1CCCN1
InChIInChI=1S/C9H17N3/c1-7(11-2)8(6-10)9-4-3-5-12-9/h6,9,12H,3-5,10H2,1-2H3/b8-6?,11-7+
InChIKeyFWKBYQMHPABRKE-CCHMHEJCSA-N
MW167.26 g/mol
LogP0.67
Rot. Bonds2

About 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine

3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine (PubChem CID 146816561) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine
PubChem CID146816561
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine
SMILESC/N=C(\C)C(=CN)C1CCCN1
InChIInChI=1S/C9H17N3/c1-7(11-2)8(6-10)9-4-3-5-12-9/h6,9,12H,3-5,10H2,1-2H3/b8-6?,11-7+
InChIKeyFWKBYQMHPABRKE-CCHMHEJCSA-N
XLogP0.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine?
The IUPAC name of 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine (CID 146816561) is 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine.
What is the SMILES notation for 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine?
The canonical SMILES for 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine is C/N=C(\C)C(=CN)C1CCCN1.
What is the InChIKey of 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine?
The InChIKey is FWKBYQMHPABRKE-CCHMHEJCSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(11-2)8(6-10)9-4-3-5-12-9/h6,9,12H,3-5,10H2,1-2H3/b8-6?,11-7+.
What are the key properties of 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine?
3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-2-pyrrolidin-2-ylbut-1-en-1-amine is sourced from PubChem (CID 146816561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).