(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine

C12H23NO2 — CID 166552161

IUPAC(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine
SMILESC=C(/C=C(\CCC(C)OC)OC)CCN
InChIInChI=1S/C12H23NO2/c1-10(7-8-13)9-12(15-4)6-5-11(2)14-3/h9,11H,1,5-8,13H2,2-4H3/b12-9+
InChIKeyGIFUFRUFBVAKDK-FMIVXFBMSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds8

About (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine

(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine (PubChem CID 166552161) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine.

Molecular Properties

Compound Name(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine
PubChem CID166552161
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine
SMILESC=C(/C=C(\CCC(C)OC)OC)CCN
InChIInChI=1S/C12H23NO2/c1-10(7-8-13)9-12(15-4)6-5-11(2)14-3/h9,11H,1,5-8,13H2,2-4H3/b12-9+
InChIKeyGIFUFRUFBVAKDK-FMIVXFBMSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-6-ethoxy-3-[(E)-2-methoxyprop-1-enyl]hepta-3,5-dien-1-amine
CID 144020851
(3Z,5E)-6-methoxy-3-[(E)-2-methoxyethenyl]hepta-3,5-dien-1-amine
CID 144485487
2-(2,5-Dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 167269316
5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
CID 177319853
6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
CID 177320019
4-(3,4-dihydro-2H-pyran-5-yl)pent-3-en-1-amine
CID 104059447

Frequently Asked Questions

What is the IUPAC name of (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine?
The IUPAC name of (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine (CID 166552161) is (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine.
What is the SMILES notation for (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine?
The canonical SMILES for (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine is C=C(/C=C(\CCC(C)OC)OC)CCN.
What is the InChIKey of (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine?
The InChIKey is GIFUFRUFBVAKDK-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(7-8-13)9-12(15-4)6-5-11(2)14-3/h9,11H,1,5-8,13H2,2-4H3/b12-9+.
What are the key properties of (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine?
(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine is sourced from PubChem (CID 166552161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).