(2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine

C13H25N3 — CID 142836216

IUPAC(2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine
SMILESCC/C(=C\C=C\CN)CN1CCN(C)CC1
InChIInChI=1S/C13H25N3/c1-3-13(6-4-5-7-14)12-16-10-8-15(2)9-11-16/h4-6H,3,7-12,14H2,1-2H3/b5-4+,13-6+
InChIKeyFTGREGBBJCTJAN-UAWWFITHSA-N
MW223.36 g/mol
LogP1.09
Rot. Bonds5

About (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine

(2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine (PubChem CID 142836216) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine
PubChem CID142836216
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine
SMILESCC/C(=C\C=C\CN)CN1CCN(C)CC1
InChIInChI=1S/C13H25N3/c1-3-13(6-4-5-7-14)12-16-10-8-15(2)9-11-16/h4-6H,3,7-12,14H2,1-2H3/b5-4+,13-6+
InChIKeyFTGREGBBJCTJAN-UAWWFITHSA-N
XLogP1.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine (CID 142836216) is (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine is CC/C(=C\C=C\CN)CN1CCN(C)CC1.
What is the InChIKey of (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine?
The InChIKey is FTGREGBBJCTJAN-UAWWFITHSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-13(6-4-5-7-14)12-16-10-8-15(2)9-11-16/h4-6H,3,7-12,14H2,1-2H3/b5-4+,13-6+.
What are the key properties of (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine?
(2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine has a molecular weight of 223.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-1-amine is sourced from PubChem (CID 142836216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).