(3S)-N-methyl-4-methylidenepyrrolidin-3-amine

C6H12N2 — CID 10197654

IUPAC(3S)-N-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CNC[C@H]1NC
InChIInChI=1S/C6H12N2/c1-5-3-8-4-6(5)7-2/h6-8H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyJKLCDAJLGMDIJZ-ZCFIWIBFSA-N
MW112.18 g/mol
LogP-0.27
Rot. Bonds1

About (3S)-N-methyl-4-methylidenepyrrolidin-3-amine

(3S)-N-methyl-4-methylidenepyrrolidin-3-amine (PubChem CID 10197654) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (3S)-N-methyl-4-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-4-methylidenepyrrolidin-3-amine
PubChem CID10197654
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(3S)-N-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CNC[C@H]1NC
InChIInChI=1S/C6H12N2/c1-5-3-8-4-6(5)7-2/h6-8H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyJKLCDAJLGMDIJZ-ZCFIWIBFSA-N
XLogP-0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine?
The IUPAC name of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine (CID 10197654) is (3S)-N-methyl-4-methylidenepyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-4-methylidenepyrrolidin-3-amine?
The canonical SMILES for (3S)-N-methyl-4-methylidenepyrrolidin-3-amine is C=C1CNC[C@H]1NC.
What is the InChIKey of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine?
The InChIKey is JKLCDAJLGMDIJZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-8-4-6(5)7-2/h6-8H,1,3-4H2,2H3/t6-/m1/s1.
What are the key properties of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine?
(3S)-N-methyl-4-methylidenepyrrolidin-3-amine has a molecular weight of 112.18 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-4-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 10197654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).