4-methylpyrrolidin-3-imine

C5H10N2 — CID 70149418

IUPAC4-methylpyrrolidin-3-imine
SMILES[H]/N=C1\CNCC1C
InChIInChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h4,6-7H,2-3H2,1H3/b6-5+
InChIKeyWGVLHKVPCBSRMC-AATRIKPKSA-N
MW98.15 g/mol
LogP0.25
Rot. Bonds

About 4-methylpyrrolidin-3-imine

4-methylpyrrolidin-3-imine (PubChem CID 70149418) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 4-methylpyrrolidin-3-imine.

Molecular Properties

Compound Name4-methylpyrrolidin-3-imine
PubChem CID70149418
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name4-methylpyrrolidin-3-imine
SMILES[H]/N=C1\CNCC1C
InChIInChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h4,6-7H,2-3H2,1H3/b6-5+
InChIKeyWGVLHKVPCBSRMC-AATRIKPKSA-N
XLogP0.25
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminomethylpyrrolidin-3-one O-methyloxime
CID 4189924
[(4Z)-4-methoxyiminopyrrolidin-1-ium-3-yl]methylazanium
CID 6032297
[(4E)-4-methoxyiminopyrrolidin-3-yl]methanamine
CID 6032298
(Z)-4-(Aminomethyl)pyrrolidin-3-one O-methyl oxime
CID 9949590
(4-Methyliminopyrrolidin-1-ium-3-yl)methylazanium
CID 20633763
(4-Methyliminopyrrolidin-3-yl)methanamine
CID 20633764
Pyrrolidin-3-imine
CID 22631378
1-(3-Methylbutyl)pyrrolidin-3-imine
CID 57218168
4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine
CID 58010765
4-ethyl-N-methylpyrrolidin-3-imine
CID 58961674
4-Methyliminopyrrolidine-3-carbonitrile
CID 58961676
N,4-dimethylpyrrolidin-3-imine
CID 59024451

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolidin-3-imine?
The IUPAC name of 4-methylpyrrolidin-3-imine (CID 70149418) is 4-methylpyrrolidin-3-imine.
What is the SMILES notation for 4-methylpyrrolidin-3-imine?
The canonical SMILES for 4-methylpyrrolidin-3-imine is [H]/N=C1\CNCC1C.
What is the InChIKey of 4-methylpyrrolidin-3-imine?
The InChIKey is WGVLHKVPCBSRMC-AATRIKPKSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-2-7-3-5(4)6/h4,6-7H,2-3H2,1H3/b6-5+.
What are the key properties of 4-methylpyrrolidin-3-imine?
4-methylpyrrolidin-3-imine has a molecular weight of 98.15 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolidin-3-imine is sourced from PubChem (CID 70149418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).