N-methylpyrrolidin-2-imine

C5H10N2 — CID 135569018

IUPACN-methylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1
InChIInChI=1S/C5H10N2/c1-6-5-3-2-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyLSAWFHNFIJBGMR-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.40
Rot. Bonds

About N-methylpyrrolidin-2-imine

N-methylpyrrolidin-2-imine (PubChem CID 135569018) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-methylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-methylpyrrolidin-2-imine
PubChem CID135569018
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-methylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1
InChIInChI=1S/C5H10N2/c1-6-5-3-2-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyLSAWFHNFIJBGMR-UHFFFAOYSA-N
XLogP0.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methylpyrrolidin-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

Related Compounds

2-Imidazoline, 2-ethyl-
CID 13590
2-Imidazoline, 2-propyl-
CID 27291
2-Butyl-2-imidazoline
CID 25284
Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
Guanidine, N-cyano-N'-(1-methyl-2-pyrrolidinylidene)-
CID 9589493
N-methyl-3,4-dihydro-2H-pyrrol-5-amine hydrochloride
CID 136277051
N-methylpyrrolidin-2-imine;hydroiodide
CID 136609989
Ethanimidamide, N,N'-dibutyl-
CID 11194584
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
2-Ethyl-1,4,5,6-tetrahydropyrimidine
CID 21290279
5-methyl-2-propyl-4,5-dihydro-1H-imidazole
CID 19005749
2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 544286

Frequently Asked Questions

What is the IUPAC name of N-methylpyrrolidin-2-imine?
The IUPAC name of N-methylpyrrolidin-2-imine (CID 135569018) is N-methylpyrrolidin-2-imine.
What is the SMILES notation for N-methylpyrrolidin-2-imine?
The canonical SMILES for N-methylpyrrolidin-2-imine is C/N=C1\CCCN1.
What is the InChIKey of N-methylpyrrolidin-2-imine?
The InChIKey is LSAWFHNFIJBGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-6-5-3-2-4-7-5/h2-4H2,1H3,(H,6,7).
What are the key properties of N-methylpyrrolidin-2-imine?
N-methylpyrrolidin-2-imine has a molecular weight of 98.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrrolidin-2-imine is sourced from PubChem (CID 135569018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).