(2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine

C13H25N3 — CID 134406350

IUPAC(2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine
SMILESCC/C(=C\C=C(\C)NC)CN1CCNCC1
InChIInChI=1S/C13H25N3/c1-4-13(6-5-12(2)14-3)11-16-9-7-15-8-10-16/h5-6,14-15H,4,7-11H2,1-3H3/b12-5-,13-6+
InChIKeyOCRMGUUYJRLKHQ-UWRPRBHNSA-N
MW223.36 g/mol
LogP1.35
Rot. Bonds5

About (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine

(2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine (PubChem CID 134406350) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine
PubChem CID134406350
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine
SMILESCC/C(=C\C=C(\C)NC)CN1CCNCC1
InChIInChI=1S/C13H25N3/c1-4-13(6-5-12(2)14-3)11-16-9-7-15-8-10-16/h5-6,14-15H,4,7-11H2,1-3H3/b12-5-,13-6+
InChIKeyOCRMGUUYJRLKHQ-UWRPRBHNSA-N
XLogP1.35
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine (CID 134406350) is (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine is CC/C(=C\C=C(\C)NC)CN1CCNCC1.
What is the InChIKey of (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine?
The InChIKey is OCRMGUUYJRLKHQ-UWRPRBHNSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-13(6-5-12(2)14-3)11-16-9-7-15-8-10-16/h5-6,14-15H,4,7-11H2,1-3H3/b12-5-,13-6+.
What are the key properties of (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine?
(2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine has a molecular weight of 223.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-5-(piperazin-1-ylmethyl)hepta-2,4-dien-2-amine is sourced from PubChem (CID 134406350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).