(3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine

C10H17NO — CID 170000025

IUPAC(3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(=C/C(C)C)OC
InChIInChI=1S/C10H17NO/c1-5-6-9(11)10(12-4)7-8(2)3/h5-8H,1,11H2,2-4H3/b9-6+,10-7+
InChIKeyJUTAJOJDDACPSB-KZZDLZNXSA-N
MW167.25 g/mol
LogP2.20
Rot. Bonds4

About (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine

(3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine (PubChem CID 170000025) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine
PubChem CID170000025
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(=C/C(C)C)OC
InChIInChI=1S/C10H17NO/c1-5-6-9(11)10(12-4)7-8(2)3/h5-8H,1,11H2,2-4H3/b9-6+,10-7+
InChIKeyJUTAJOJDDACPSB-KZZDLZNXSA-N
XLogP2.20
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 ≤ 52.20
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 (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine (CID 170000025) is (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine is C=C/C=C(N)\C(=C/C(C)C)OC.
What is the InChIKey of (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine?
The InChIKey is JUTAJOJDDACPSB-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-9(11)10(12-4)7-8(2)3/h5-8H,1,11H2,2-4H3/b9-6+,10-7+.
What are the key properties of (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine?
(3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine has a molecular weight of 167.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-methoxy-7-methylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 170000025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).