(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine

C11H19N3 — CID 89062309

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

About (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine

(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine (PubChem CID 89062309) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine
PubChem CID89062309
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C\N1CCN(C)CC1
InChIInChI=1S/C11H19N3/c1-3-11(12)5-4-6-14-9-7-13(2)8-10-14/h3-6H,1,7-10,12H2,2H3/b6-4+,11-5+
InChIKeyKCTAGVXUXAPVJU-KGUOMNFLSA-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 (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine (CID 89062309) is (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine is C=C/C(N)=C\C=C\N1CCN(C)CC1.
What is the InChIKey of (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine?
The InChIKey is KCTAGVXUXAPVJU-KGUOMNFLSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-11(12)5-4-6-14-9-7-13(2)8-10-14/h3-6H,1,7-10,12H2,2H3/b6-4+,11-5+.
What are the key properties of (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine?
(3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-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 (3E,5E)-6-(4-methylpiperazin-1-yl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 89062309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).