(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine

C11H19N3 — CID 88914774

IUPAC(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-3-4-11(5-6-12)14-9-7-13(2)8-10-14/h3-6H,1,7-10,12H2,2H3/b6-5-,11-4+
InChIKeyPDNSRORGGKJVAF-VWXLBWAMSA-N
MW193.29 g/mol
LogP0.78
Rot. Bonds3

About (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine

(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine (PubChem CID 88914774) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine
PubChem CID88914774
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-3-4-11(5-6-12)14-9-7-13(2)8-10-14/h3-6H,1,7-10,12H2,2H3/b6-5-,11-4+
InChIKeyPDNSRORGGKJVAF-VWXLBWAMSA-N
XLogP0.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.78
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 (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine (CID 88914774) is (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)N1CCN(C)CC1.
What is the InChIKey of (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is PDNSRORGGKJVAF-VWXLBWAMSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-11(5-6-12)14-9-7-13(2)8-10-14/h3-6H,1,7-10,12H2,2H3/b6-5-,11-4+.
What are the key properties of (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88914774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).