4-methylidene-N-propylpyrrolidin-3-amine

C8H16N2 — CID 91431232

IUPAC4-methylidene-N-propylpyrrolidin-3-amine
SMILESC=C1CNCC1NCCC
InChIInChI=1S/C8H16N2/c1-3-4-10-8-6-9-5-7(8)2/h8-10H,2-6H2,1H3
InChIKeyDDCRCHWTZUPFQQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.51
Rot. Bonds3

About 4-methylidene-N-propylpyrrolidin-3-amine

4-methylidene-N-propylpyrrolidin-3-amine (PubChem CID 91431232) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methylidene-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-methylidene-N-propylpyrrolidin-3-amine
PubChem CID91431232
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-methylidene-N-propylpyrrolidin-3-amine
SMILESC=C1CNCC1NCCC
InChIInChI=1S/C8H16N2/c1-3-4-10-8-6-9-5-7(8)2/h8-10H,2-6H2,1H3
InChIKeyDDCRCHWTZUPFQQ-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.51
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 4-methylidene-N-propylpyrrolidin-3-amine?
The IUPAC name of 4-methylidene-N-propylpyrrolidin-3-amine (CID 91431232) is 4-methylidene-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 4-methylidene-N-propylpyrrolidin-3-amine?
The canonical SMILES for 4-methylidene-N-propylpyrrolidin-3-amine is C=C1CNCC1NCCC.
What is the InChIKey of 4-methylidene-N-propylpyrrolidin-3-amine?
The InChIKey is DDCRCHWTZUPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-10-8-6-9-5-7(8)2/h8-10H,2-6H2,1H3.
What are the key properties of 4-methylidene-N-propylpyrrolidin-3-amine?
4-methylidene-N-propylpyrrolidin-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 91431232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).