1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine

C11H20N2 — CID 123831532

IUPAC1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine
SMILESCC=CC(=CC)CN1CCC(N)C1
InChIInChI=1S/C11H20N2/c1-3-5-10(4-2)8-13-7-6-11(12)9-13/h3-5,11H,6-9,12H2,1-2H3
InChIKeyJIBLHGIQWCGYSH-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.54
Rot. Bonds3

About 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine

1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine (PubChem CID 123831532) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine
PubChem CID123831532
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine
SMILESCC=CC(=CC)CN1CCC(N)C1
InChIInChI=1S/C11H20N2/c1-3-5-10(4-2)8-13-7-6-11(12)9-13/h3-5,11H,6-9,12H2,1-2H3
InChIKeyJIBLHGIQWCGYSH-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine (CID 123831532) is 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine is CC=CC(=CC)CN1CCC(N)C1.
What is the InChIKey of 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine?
The InChIKey is JIBLHGIQWCGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-10(4-2)8-13-7-6-11(12)9-13/h3-5,11H,6-9,12H2,1-2H3.
What are the key properties of 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine?
1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine has a molecular weight of 180.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylidenepent-3-enyl)pyrrolidin-3-amine is sourced from PubChem (CID 123831532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).