(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine

C11H19NO — CID 89363688

IUPAC(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
SMILESC=C/C=C(OC)\C(C)=C/CCNC
InChIInChI=1S/C11H19NO/c1-5-7-11(13-4)10(2)8-6-9-12-3/h5,7-8,12H,1,6,9H2,2-4H3/b10-8-,11-7+
InChIKeyIEMISCKQQQMASH-FIUNUOGESA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds6

About (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine

(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine (PubChem CID 89363688) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
PubChem CID89363688
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
SMILESC=C/C=C(OC)\C(C)=C/CCNC
InChIInChI=1S/C11H19NO/c1-5-7-11(13-4)10(2)8-6-9-12-3/h5,7-8,12H,1,6,9H2,2-4H3/b10-8-,11-7+
InChIKeyIEMISCKQQQMASH-FIUNUOGESA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine?
The IUPAC name of (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine (CID 89363688) is (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine.
What is the SMILES notation for (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine?
The canonical SMILES for (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine is C=C/C=C(OC)\C(C)=C/CCNC.
What is the InChIKey of (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine?
The InChIKey is IEMISCKQQQMASH-FIUNUOGESA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-11(13-4)10(2)8-6-9-12-3/h5,7-8,12H,1,6,9H2,2-4H3/b10-8-,11-7+.
What are the key properties of (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine?
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine is sourced from PubChem (CID 89363688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).