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

C10H17NO — CID 130224551

IUPAC(1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine
SMILESCC/C=C(OC)\C(C)=C/C=C\N
InChIInChI=1S/C10H17NO/c1-4-6-10(12-3)9(2)7-5-8-11/h5-8H,4,11H2,1-3H3/b8-5-,9-7-,10-6+
InChIKeyVQZAVSZHJUGTBG-DAHFCJDMSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds4

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

(1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine (PubChem CID 130224551) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine
PubChem CID130224551
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine
SMILESCC/C=C(OC)\C(C)=C/C=C\N
InChIInChI=1S/C10H17NO/c1-4-6-10(12-3)9(2)7-5-8-11/h5-8H,4,11H2,1-3H3/b8-5-,9-7-,10-6+
InChIKeyVQZAVSZHJUGTBG-DAHFCJDMSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
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 (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine (CID 130224551) is (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine is CC/C=C(OC)\C(C)=C/C=C\N.
What is the InChIKey of (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine?
The InChIKey is VQZAVSZHJUGTBG-DAHFCJDMSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-10(12-3)9(2)7-5-8-11/h5-8H,4,11H2,1-3H3/b8-5-,9-7-,10-6+.
What are the key properties of (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine?
(1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-5-methoxy-4-methylocta-1,3,5-trien-1-amine is sourced from PubChem (CID 130224551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).