[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine

C15H27N3 — CID 169170038

IUPAC[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine
SMILESC/C=C\C(C)=N/C(=C/CCC)N1CCC(CN)C1
InChIInChI=1S/C15H27N3/c1-4-6-8-15(17-13(3)7-5-2)18-10-9-14(11-16)12-18/h5,7-8,14H,4,6,9-12,16H2,1-3H3/b7-5-,15-8-,17-13-
InChIKeyIZEOKWOVIXHQCY-CPWKAEDLSA-N
MW249.40 g/mol
LogP2.95
Rot. Bonds6

About [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine

[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine (PubChem CID 169170038) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine
PubChem CID169170038
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine
SMILESC/C=C\C(C)=N/C(=C/CCC)N1CCC(CN)C1
InChIInChI=1S/C15H27N3/c1-4-6-8-15(17-13(3)7-5-2)18-10-9-14(11-16)12-18/h5,7-8,14H,4,6,9-12,16H2,1-3H3/b7-5-,15-8-,17-13-
InChIKeyIZEOKWOVIXHQCY-CPWKAEDLSA-N
XLogP2.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]pyrrolidin-3-yl]ethanamine
CID 169170169
(Z,Z)-N-[(E)-1-pyrrolidin-1-ylpent-1-enyl]pent-3-en-2-imine
CID 169170233

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine (CID 169170038) is [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine is C/C=C\C(C)=N/C(=C/CCC)N1CCC(CN)C1.
What is the InChIKey of [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine?
The InChIKey is IZEOKWOVIXHQCY-CPWKAEDLSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-8-15(17-13(3)7-5-2)18-10-9-14(11-16)12-18/h5,7-8,14H,4,6,9-12,16H2,1-3H3/b7-5-,15-8-,17-13-.
What are the key properties of [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine?
[1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]pent-1-enyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 169170038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).