(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine

C14H27N3 — CID 129181692

IUPAC(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)NCCCN1CCN(C)CC1
InChIInChI=1S/C14H27N3/c1-4-7-14(5-2)15-8-6-9-17-12-10-16(3)11-13-17/h4,7,15H,1,5-6,8-13H2,2-3H3/b14-7+
InChIKeyWWFFGBVJDRFGHF-VGOFMYFVSA-N
MW237.39 g/mol
LogP1.69
Rot. Bonds7

About (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine

(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine (PubChem CID 129181692) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine
PubChem CID129181692
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)NCCCN1CCN(C)CC1
InChIInChI=1S/C14H27N3/c1-4-7-14(5-2)15-8-6-9-17-12-10-16(3)11-13-17/h4,7,15H,1,5-6,8-13H2,2-3H3/b14-7+
InChIKeyWWFFGBVJDRFGHF-VGOFMYFVSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine?
The IUPAC name of (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine (CID 129181692) is (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine is C=C/C=C(\CC)NCCCN1CCN(C)CC1.
What is the InChIKey of (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine?
The InChIKey is WWFFGBVJDRFGHF-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-14(5-2)15-8-6-9-17-12-10-16(3)11-13-17/h4,7,15H,1,5-6,8-13H2,2-3H3/b14-7+.
What are the key properties of (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine?
(3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine has a molecular weight of 237.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[3-(4-methylpiperazin-1-yl)propyl]hexa-3,5-dien-3-amine is sourced from PubChem (CID 129181692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).