(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine

C12H21N3 — CID 89062410

IUPAC(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h4-6H,2,7-10,13H2,1,3H3/b6-5-,12-4+
InChIKeyAWDXTKWRZDGXCY-JWUPWDRQSA-N
MW207.32 g/mol
LogP1.17
Rot. Bonds3

About (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine

(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine (PubChem CID 89062410) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
PubChem CID89062410
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h4-6H,2,7-10,13H2,1,3H3/b6-5-,12-4+
InChIKeyAWDXTKWRZDGXCY-JWUPWDRQSA-N
XLogP1.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.17
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,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine (CID 89062410) is (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)N1CCN(C)CC1.
What is the InChIKey of (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine?
The InChIKey is AWDXTKWRZDGXCY-JWUPWDRQSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h4-6H,2,7-10,13H2,1,3H3/b6-5-,12-4+.
What are the key properties of (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine has a molecular weight of 207.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 89062410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).