(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine

C12H23N3 — CID 130320073

IUPAC(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
SMILESCNN/C(C)=C(C)/C(C)=C/C(N)=C(C)C
InChIInChI=1S/C12H23N3/c1-8(2)12(13)7-9(3)10(4)11(5)15-14-6/h7,14-15H,13H2,1-6H3/b9-7+,11-10+
InChIKeyMLOLKZUIHWEAOI-RJECPTDASA-N
MW209.34 g/mol
LogP2.20
Rot. Bonds4

About (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine

(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine (PubChem CID 130320073) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
PubChem CID130320073
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
SMILESCNN/C(C)=C(C)/C(C)=C/C(N)=C(C)C
InChIInChI=1S/C12H23N3/c1-8(2)12(13)7-9(3)10(4)11(5)15-14-6/h7,14-15H,13H2,1-6H3/b9-7+,11-10+
InChIKeyMLOLKZUIHWEAOI-RJECPTDASA-N
XLogP2.20
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?
The IUPAC name of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine (CID 130320073) is (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine.
What is the SMILES notation for (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?
The canonical SMILES for (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine is CNN/C(C)=C(C)/C(C)=C/C(N)=C(C)C.
What is the InChIKey of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?
The InChIKey is MLOLKZUIHWEAOI-RJECPTDASA-N. The full InChI is InChI=1S/C12H23N3/c1-8(2)12(13)7-9(3)10(4)11(5)15-14-6/h7,14-15H,13H2,1-6H3/b9-7+,11-10+.
What are the key properties of (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine?
(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine is sourced from PubChem (CID 130320073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).