(7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine

C19H29NO — CID 145410806

IUPAC(7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)N)OC
InChIInChI=1S/C19H29NO/c1-14(16(3)10-12-18(5)20)8-9-15(2)17(4)11-13-19(6)21-7/h8-9,11,13,16,18H,1-2,4,6,10,12,20H2,3,5,7H3/b9-8-,13-11-
InChIKeyLFUFJZDGLDGCHS-KJAVDWBKSA-N
MW287.45 g/mol
LogP4.69
Rot. Bonds10

About (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine

(7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine (PubChem CID 145410806) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine.

Molecular Properties

Compound Name(7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine
PubChem CID145410806
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)N)OC
InChIInChI=1S/C19H29NO/c1-14(16(3)10-12-18(5)20)8-9-15(2)17(4)11-13-19(6)21-7/h8-9,11,13,16,18H,1-2,4,6,10,12,20H2,3,5,7H3/b9-8-,13-11-
InChIKeyLFUFJZDGLDGCHS-KJAVDWBKSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.69
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 (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine?
The IUPAC name of (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine (CID 145410806) is (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine.
What is the SMILES notation for (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine?
The canonical SMILES for (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine is C=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)N)OC.
What is the InChIKey of (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine?
The InChIKey is LFUFJZDGLDGCHS-KJAVDWBKSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(16(3)10-12-18(5)20)8-9-15(2)17(4)11-13-19(6)21-7/h8-9,11,13,16,18H,1-2,4,6,10,12,20H2,3,5,7H3/b9-8-,13-11-.
What are the key properties of (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine?
(7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,11Z)-13-methoxy-5-methyl-6,9,10-trimethylidenetetradeca-7,11,13-trien-2-amine is sourced from PubChem (CID 145410806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).