(3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine

C16H23N — CID 88964630

IUPAC(3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine
SMILESC=C(/C=C(C)\C=C/C)/C(C)=C/C(=C\C)C(=C)N
InChIInChI=1S/C16H23N/c1-7-9-12(3)10-13(4)14(5)11-16(8-2)15(6)17/h7-11H,4,6,17H2,1-3,5H3/b9-7-,12-10-,14-11+,16-8+
InChIKeyXZYRIVVRFNWVML-XLOWYXTESA-N
MW229.37 g/mol
LogP4.43
Rot. Bonds5

About (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine

(3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine (PubChem CID 88964630) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine.

Molecular Properties

Compound Name(3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine
PubChem CID88964630
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine
SMILESC=C(/C=C(C)\C=C/C)/C(C)=C/C(=C\C)C(=C)N
InChIInChI=1S/C16H23N/c1-7-9-12(3)10-13(4)14(5)11-16(8-2)15(6)17/h7-11H,4,6,17H2,1-3,5H3/b9-7-,12-10-,14-11+,16-8+
InChIKeyXZYRIVVRFNWVML-XLOWYXTESA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine?
The IUPAC name of (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine (CID 88964630) is (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine.
What is the SMILES notation for (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine?
The canonical SMILES for (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine is C=C(/C=C(C)\C=C/C)/C(C)=C/C(=C\C)C(=C)N.
What is the InChIKey of (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine?
The InChIKey is XZYRIVVRFNWVML-XLOWYXTESA-N. The full InChI is InChI=1S/C16H23N/c1-7-9-12(3)10-13(4)14(5)11-16(8-2)15(6)17/h7-11H,4,6,17H2,1-3,5H3/b9-7-,12-10-,14-11+,16-8+.
What are the key properties of (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine?
(3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E,7Z,9Z)-3-ethylidene-5,8-dimethyl-6-methylideneundeca-1,4,7,9-tetraen-2-amine is sourced from PubChem (CID 88964630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).