(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine

C19H35NO — CID 145410814

IUPAC(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)CCC(C)N)OC
InChIInChI=1S/C19H35NO/c1-14(16(3)10-12-18(5)20)8-9-15(2)17(4)11-13-19(6)21-7/h11,13-16,18H,4,6,8-10,12,20H2,1-3,5,7H3/b13-11-
InChIKeyBJJRZNRKOIVDIK-QBFSEMIESA-N
MW293.50 g/mol
LogP5.07
Rot. Bonds11

About (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine

(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine (PubChem CID 145410814) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine.

Molecular Properties

Compound Name(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine
PubChem CID145410814
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)CCC(C)N)OC
InChIInChI=1S/C19H35NO/c1-14(16(3)10-12-18(5)20)8-9-15(2)17(4)11-13-19(6)21-7/h11,13-16,18H,4,6,8-10,12,20H2,1-3,5,7H3/b13-11-
InChIKeyBJJRZNRKOIVDIK-QBFSEMIESA-N
XLogP5.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine?
The IUPAC name of (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine (CID 145410814) is (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine.
What is the SMILES notation for (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine?
The canonical SMILES for (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine is C=C(/C=C\C(=C)C(C)CCC(C)C(C)CCC(C)N)OC.
What is the InChIKey of (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine?
The InChIKey is BJJRZNRKOIVDIK-QBFSEMIESA-N. The full InChI is InChI=1S/C19H35NO/c1-14(16(3)10-12-18(5)20)8-9-15(2)17(4)11-13-19(6)21-7/h11,13-16,18H,4,6,8-10,12,20H2,1-3,5,7H3/b13-11-.
What are the key properties of (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine?
(11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine has a molecular weight of 293.50 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-13-methoxy-5,6,9-trimethyl-10-methylidenetetradeca-11,13-dien-2-amine is sourced from PubChem (CID 145410814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).