(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine

C13H23NO — CID 144664449

IUPAC(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine
SMILESC=C(/C=C(C(\N)=C\C(C)C)/C(C)C)OC
InChIInChI=1S/C13H23NO/c1-9(2)7-13(14)12(10(3)4)8-11(5)15-6/h7-10H,5,14H2,1-4,6H3/b12-8-,13-7-
InChIKeyXAOZSFICNWTATD-SVGXSMIJSA-N
MW209.33 g/mol
LogP3.23
Rot. Bonds5

About (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine

(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine (PubChem CID 144664449) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine
PubChem CID144664449
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine
SMILESC=C(/C=C(C(\N)=C\C(C)C)/C(C)C)OC
InChIInChI=1S/C13H23NO/c1-9(2)7-13(14)12(10(3)4)8-11(5)15-6/h7-10H,5,14H2,1-4,6H3/b12-8-,13-7-
InChIKeyXAOZSFICNWTATD-SVGXSMIJSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.23
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 (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine?
The IUPAC name of (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine (CID 144664449) is (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine?
The canonical SMILES for (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine is C=C(/C=C(C(\N)=C\C(C)C)/C(C)C)OC.
What is the InChIKey of (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine?
The InChIKey is XAOZSFICNWTATD-SVGXSMIJSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)7-13(14)12(10(3)4)8-11(5)15-6/h7-10H,5,14H2,1-4,6H3/b12-8-,13-7-.
What are the key properties of (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine?
(3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine has a molecular weight of 209.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methoxy-2-methyl-5-propan-2-ylocta-3,5,7-trien-4-amine is sourced from PubChem (CID 144664449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).