(3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine

C18H29N — CID 138528062

IUPAC(3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine
SMILESC=C(C)/C(C)=C\C=C\NC(/C=C(/C)C(C)C)=C/CC
InChIInChI=1S/C18H29N/c1-8-10-18(13-17(7)15(4)5)19-12-9-11-16(6)14(2)3/h9-13,15,19H,2,8H2,1,3-7H3/b12-9+,16-11-,17-13-,18-10+
InChIKeyUBNARXNTUAAPPG-GBCUWJRWSA-N
MW259.44 g/mol
LogP5.51
Rot. Bonds7

About (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine

(3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine (PubChem CID 138528062) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine
PubChem CID138528062
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine
SMILESC=C(C)/C(C)=C\C=C\NC(/C=C(/C)C(C)C)=C/CC
InChIInChI=1S/C18H29N/c1-8-10-18(13-17(7)15(4)5)19-12-9-11-16(6)14(2)3/h9-13,15,19H,2,8H2,1,3-7H3/b12-9+,16-11-,17-13-,18-10+
InChIKeyUBNARXNTUAAPPG-GBCUWJRWSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.51
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,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine?
The IUPAC name of (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine (CID 138528062) is (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine.
What is the SMILES notation for (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine?
The canonical SMILES for (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine is C=C(C)/C(C)=C\C=C\NC(/C=C(/C)C(C)C)=C/CC.
What is the InChIKey of (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine?
The InChIKey is UBNARXNTUAAPPG-GBCUWJRWSA-N. The full InChI is InChI=1S/C18H29N/c1-8-10-18(13-17(7)15(4)5)19-12-9-11-16(6)14(2)3/h9-13,15,19H,2,8H2,1,3-7H3/b12-9+,16-11-,17-13-,18-10+.
What are the key properties of (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine?
(3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine has a molecular weight of 259.44 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(1E,3Z)-4,5-dimethylhexa-1,3,5-trienyl]-6,7-dimethylocta-3,5-dien-4-amine is sourced from PubChem (CID 138528062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).