N-methyl-4-methylidenepyrrolidin-3-amine

C6H12N2 — CID 15136237

IUPACN-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CNCC1NC
InChIInChI=1S/C6H12N2/c1-5-3-8-4-6(5)7-2/h6-8H,1,3-4H2,2H3
InChIKeyJKLCDAJLGMDIJZ-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.27
Rot. Bonds1

About N-methyl-4-methylidenepyrrolidin-3-amine

N-methyl-4-methylidenepyrrolidin-3-amine (PubChem CID 15136237) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-4-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylidenepyrrolidin-3-amine
PubChem CID15136237
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-4-methylidenepyrrolidin-3-amine
SMILESC=C1CNCC1NC
InChIInChI=1S/C6H12N2/c1-5-3-8-4-6(5)7-2/h6-8H,1,3-4H2,2H3
InChIKeyJKLCDAJLGMDIJZ-UHFFFAOYSA-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 N-methyl-4-methylidenepyrrolidin-3-amine?
The IUPAC name of N-methyl-4-methylidenepyrrolidin-3-amine (CID 15136237) is N-methyl-4-methylidenepyrrolidin-3-amine.
What is the SMILES notation for N-methyl-4-methylidenepyrrolidin-3-amine?
The canonical SMILES for N-methyl-4-methylidenepyrrolidin-3-amine is C=C1CNCC1NC.
What is the InChIKey of N-methyl-4-methylidenepyrrolidin-3-amine?
The InChIKey is JKLCDAJLGMDIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-8-4-6(5)7-2/h6-8H,1,3-4H2,2H3.
What are the key properties of N-methyl-4-methylidenepyrrolidin-3-amine?
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 N-methyl-4-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 15136237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).