(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine

C14H20N2O2 — CID 146245986

IUPAC(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine
SMILESC=C/C(=C\C(=C\N)OC)C(=C)/C=C(/OC)C(=C)N
InChIInChI=1S/C14H20N2O2/c1-6-12(8-13(9-15)17-4)10(2)7-14(18-5)11(3)16/h6-9H,1-3,15-16H2,4-5H3/b12-8+,13-9-,14-7+
InChIKeyIDVDOTROIIUVBX-UPUFIFOASA-N
MW248.33 g/mol
LogP2.10
Rot. Bonds7

About (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine

(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine (PubChem CID 146245986) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine.

Molecular Properties

Compound Name(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine
PubChem CID146245986
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine
SMILESC=C/C(=C\C(=C\N)OC)C(=C)/C=C(/OC)C(=C)N
InChIInChI=1S/C14H20N2O2/c1-6-12(8-13(9-15)17-4)10(2)7-14(18-5)11(3)16/h6-9H,1-3,15-16H2,4-5H3/b12-8+,13-9-,14-7+
InChIKeyIDVDOTROIIUVBX-UPUFIFOASA-N
XLogP2.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine?
The IUPAC name of (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine (CID 146245986) is (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine.
What is the SMILES notation for (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine?
The canonical SMILES for (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine is C=C/C(=C\C(=C\N)OC)C(=C)/C=C(/OC)C(=C)N.
What is the InChIKey of (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine?
The InChIKey is IDVDOTROIIUVBX-UPUFIFOASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-6-12(8-13(9-15)17-4)10(2)7-14(18-5)11(3)16/h6-9H,1-3,15-16H2,4-5H3/b12-8+,13-9-,14-7+.
What are the key properties of (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine?
(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine has a molecular weight of 248.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine is sourced from PubChem (CID 146245986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).