(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine

C15H28N4 — CID 142390554

IUPAC(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
SMILESC/C=C/C=C(\C=N\CCCN1CCN(C)CC1)CN
InChIInChI=1S/C15H28N4/c1-3-4-6-15(13-16)14-17-7-5-8-19-11-9-18(2)10-12-19/h3-4,6,14H,5,7-13,16H2,1-2H3/b4-3+,15-6-,17-14+
InChIKeyHLAQIXBHDOFLPY-CKLXSXFWSA-N
MW264.42 g/mol
LogP1.16
Rot. Bonds7

About (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine

(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine (PubChem CID 142390554) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
PubChem CID142390554
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
SMILESC/C=C/C=C(\C=N\CCCN1CCN(C)CC1)CN
InChIInChI=1S/C15H28N4/c1-3-4-6-15(13-16)14-17-7-5-8-19-11-9-18(2)10-12-19/h3-4,6,14H,5,7-13,16H2,1-2H3/b4-3+,15-6-,17-14+
InChIKeyHLAQIXBHDOFLPY-CKLXSXFWSA-N
XLogP1.16
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine (CID 142390554) is (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine is C/C=C/C=C(\C=N\CCCN1CCN(C)CC1)CN.
What is the InChIKey of (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
The InChIKey is HLAQIXBHDOFLPY-CKLXSXFWSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-4-6-15(13-16)14-17-7-5-8-19-11-9-18(2)10-12-19/h3-4,6,14H,5,7-13,16H2,1-2H3/b4-3+,15-6-,17-14+.
What are the key properties of (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine?
(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 142390554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).