N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine

C8H14N2 — CID 174285161

IUPACN-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine
SMILESCC(C)=N/C=C1/CCNC1
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8-3-4-9-5-8/h6,9H,3-5H2,1-2H3/b8-6-
InChIKeyFBJKHBJWNYMOCG-VURMDHGXSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds1

About N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine

N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine (PubChem CID 174285161) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine
PubChem CID174285161
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine
SMILESCC(C)=N/C=C1/CCNC1
InChIInChI=1S/C8H14N2/c1-7(2)10-6-8-3-4-9-5-8/h6,9H,3-5H2,1-2H3/b8-6-
InChIKeyFBJKHBJWNYMOCG-VURMDHGXSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine 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 N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine?
The IUPAC name of N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine (CID 174285161) is N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine.
What is the SMILES notation for N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine?
The canonical SMILES for N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine is CC(C)=N/C=C1/CCNC1.
What is the InChIKey of N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine?
The InChIKey is FBJKHBJWNYMOCG-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)10-6-8-3-4-9-5-8/h6,9H,3-5H2,1-2H3/b8-6-.
What are the key properties of N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine?
N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyrrolidin-3-ylidenemethyl]propan-2-imine is sourced from PubChem (CID 174285161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).