N,1-dimethylpyrrolidin-2-imine

C6H12N2 — CID 574377

IUPACN,1-dimethylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1C
InChIInChI=1S/C6H12N2/c1-7-6-4-3-5-8(6)2/h3-5H2,1-2H3/b7-6+
InChIKeyVDVHZMCIARMGAK-VOTSOKGWSA-N
MW112.18 g/mol
LogP0.74
Rot. Bonds

About N,1-dimethylpyrrolidin-2-imine

N,1-dimethylpyrrolidin-2-imine (PubChem CID 574377) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N,1-dimethylpyrrolidin-2-imine.

Molecular Properties

Compound NameN,1-dimethylpyrrolidin-2-imine
PubChem CID574377
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN,1-dimethylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1C
InChIInChI=1S/C6H12N2/c1-7-6-4-3-5-8(6)2/h3-5H2,1-2H3/b7-6+
InChIKeyVDVHZMCIARMGAK-VOTSOKGWSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,1-dimethylpyrrolidin-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,1-dimethylpyrrolidin-2-imine?
The IUPAC name of N,1-dimethylpyrrolidin-2-imine (CID 574377) is N,1-dimethylpyrrolidin-2-imine.
What is the SMILES notation for N,1-dimethylpyrrolidin-2-imine?
The canonical SMILES for N,1-dimethylpyrrolidin-2-imine is C/N=C1\CCCN1C.
What is the InChIKey of N,1-dimethylpyrrolidin-2-imine?
The InChIKey is VDVHZMCIARMGAK-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-7-6-4-3-5-8(6)2/h3-5H2,1-2H3/b7-6+.
What are the key properties of N,1-dimethylpyrrolidin-2-imine?
N,1-dimethylpyrrolidin-2-imine has a molecular weight of 112.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpyrrolidin-2-imine is sourced from PubChem (CID 574377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).