(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine

C9H15NO — CID 143557847

IUPAC(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C(OC)=C(N)\C(C)=C/C
InChIInChI=1S/C9H15NO/c1-5-7(3)9(10)8(6-2)11-4/h5-6H,2,10H2,1,3-4H3/b7-5-,9-8-
InChIKeyYQTBWWWWWQYCCQ-PJHABFGRSA-N
MW153.22 g/mol
LogP1.96
Rot. Bonds3

About (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine

(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine (PubChem CID 143557847) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine
PubChem CID143557847
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C(OC)=C(N)\C(C)=C/C
InChIInChI=1S/C9H15NO/c1-5-7(3)9(10)8(6-2)11-4/h5-6H,2,10H2,1,3-4H3/b7-5-,9-8-
InChIKeyYQTBWWWWWQYCCQ-PJHABFGRSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.96
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)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine (CID 143557847) is (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine is C=C/C(OC)=C(N)\C(C)=C/C.
What is the InChIKey of (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine?
The InChIKey is YQTBWWWWWQYCCQ-PJHABFGRSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(3)9(10)8(6-2)11-4/h5-6H,2,10H2,1,3-4H3/b7-5-,9-8-.
What are the key properties of (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine?
(3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine has a molecular weight of 153.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-methoxy-5-methylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143557847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).