8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine

C12H19NO — CID 123211860

IUPAC8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
SMILESCC=CC(=C=CCCC=COC)CN
InChIInChI=1S/C12H19NO/c1-3-8-12(11-13)9-6-4-5-7-10-14-2/h3,6-8,10H,4-5,11,13H2,1-2H3
InChIKeyQGWRGLPXYMHFJP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.54
Rot. Bonds6

About 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine

8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine (PubChem CID 123211860) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine.

Molecular Properties

Compound Name8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
PubChem CID123211860
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
SMILESCC=CC(=C=CCCC=COC)CN
InChIInChI=1S/C12H19NO/c1-3-8-12(11-13)9-6-4-5-7-10-14-2/h3,6-8,10H,4-5,11,13H2,1-2H3
InChIKeyQGWRGLPXYMHFJP-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.54
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 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine?
The IUPAC name of 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine (CID 123211860) is 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine.
What is the SMILES notation for 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine?
The canonical SMILES for 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine is CC=CC(=C=CCCC=COC)CN.
What is the InChIKey of 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine?
The InChIKey is QGWRGLPXYMHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-8-12(11-13)9-6-4-5-7-10-14-2/h3,6-8,10H,4-5,11,13H2,1-2H3.
What are the key properties of 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine?
8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine is sourced from PubChem (CID 123211860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).