(2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine

C10H11Cl2N — CID 122535096

IUPAC(2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine
SMILES[H]/N=C/C=C(Cl)\C(C)=C\C=C(\Cl)C=C
InChIInChI=1S/C10H11Cl2N/c1-3-9(11)5-4-8(2)10(12)6-7-13/h3-7,13H,1H2,2H3/b8-4+,9-5+,10-6+,13-7+
InChIKeyCBOQOCMAOGIJMZ-SFMMINMLSA-N
MW216.11 g/mol
LogP4.01
Rot. Bonds4

About (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine

(2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine (PubChem CID 122535096) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine
PubChem CID122535096
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name(2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine
SMILES[H]/N=C/C=C(Cl)\C(C)=C\C=C(\Cl)C=C
InChIInChI=1S/C10H11Cl2N/c1-3-9(11)5-4-8(2)10(12)6-7-13/h3-7,13H,1H2,2H3/b8-4+,9-5+,10-6+,13-7+
InChIKeyCBOQOCMAOGIJMZ-SFMMINMLSA-N
XLogP4.01
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine (CID 122535096) is (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine is [H]/N=C/C=C(Cl)\C(C)=C\C=C(\Cl)C=C.
What is the InChIKey of (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine?
The InChIKey is CBOQOCMAOGIJMZ-SFMMINMLSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-3-9(11)5-4-8(2)10(12)6-7-13/h3-7,13H,1H2,2H3/b8-4+,9-5+,10-6+,13-7+.
What are the key properties of (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine?
(2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine has a molecular weight of 216.11 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-3,7-dichloro-4-methylnona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 122535096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).