(3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine

C9H15NO — CID 142171562

IUPAC(3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine
SMILESC=C(/C=C\C=C/C(C)N)OC
InChIInChI=1S/C9H15NO/c1-8(10)6-4-5-7-9(2)11-3/h4-8H,2,10H2,1,3H3/b6-4-,7-5-
InChIKeyMETACSACNIRHAH-PEPZGXQESA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds4

About (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine

(3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine (PubChem CID 142171562) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine
PubChem CID142171562
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine
SMILESC=C(/C=C\C=C/C(C)N)OC
InChIInChI=1S/C9H15NO/c1-8(10)6-4-5-7-9(2)11-3/h4-8H,2,10H2,1,3H3/b6-4-,7-5-
InChIKeyMETACSACNIRHAH-PEPZGXQESA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
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-methoxyocta-3,5,7-trien-2-amine?
The IUPAC name of (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine (CID 142171562) is (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine?
The canonical SMILES for (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine is C=C(/C=C\C=C/C(C)N)OC.
What is the InChIKey of (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine?
The InChIKey is METACSACNIRHAH-PEPZGXQESA-N. The full InChI is InChI=1S/C9H15NO/c1-8(10)6-4-5-7-9(2)11-3/h4-8H,2,10H2,1,3H3/b6-4-,7-5-.
What are the key properties of (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine?
(3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methoxyocta-3,5,7-trien-2-amine is sourced from PubChem (CID 142171562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).