(4Z,6E)-7-methyldodeca-4,6-dien-3-imine

C13H23N — CID 90392057

IUPAC(4Z,6E)-7-methyldodeca-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C=C(/C)CCCCC)CC
InChIInChI=1S/C13H23N/c1-4-6-7-9-12(3)10-8-11-13(14)5-2/h8,10-11,14H,4-7,9H2,1-3H3/b11-8-,12-10+,14-13+
InChIKeyNGKKHFWQSKWDSU-QFOVENJXSA-N
MW193.33 g/mol
LogP4.50
Rot. Bonds7

About (4Z,6E)-7-methyldodeca-4,6-dien-3-imine

(4Z,6E)-7-methyldodeca-4,6-dien-3-imine (PubChem CID 90392057) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (4Z,6E)-7-methyldodeca-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z,6E)-7-methyldodeca-4,6-dien-3-imine
PubChem CID90392057
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(4Z,6E)-7-methyldodeca-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C=C(/C)CCCCC)CC
InChIInChI=1S/C13H23N/c1-4-6-7-9-12(3)10-8-11-13(14)5-2/h8,10-11,14H,4-7,9H2,1-3H3/b11-8-,12-10+,14-13+
InChIKeyNGKKHFWQSKWDSU-QFOVENJXSA-N
XLogP4.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (4Z,6E)-7-methyldodeca-4,6-dien-3-imine?
The IUPAC name of (4Z,6E)-7-methyldodeca-4,6-dien-3-imine (CID 90392057) is (4Z,6E)-7-methyldodeca-4,6-dien-3-imine.
What is the SMILES notation for (4Z,6E)-7-methyldodeca-4,6-dien-3-imine?
The canonical SMILES for (4Z,6E)-7-methyldodeca-4,6-dien-3-imine is [H]/N=C(/C=C\C=C(/C)CCCCC)CC.
What is the InChIKey of (4Z,6E)-7-methyldodeca-4,6-dien-3-imine?
The InChIKey is NGKKHFWQSKWDSU-QFOVENJXSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-7-9-12(3)10-8-11-13(14)5-2/h8,10-11,14H,4-7,9H2,1-3H3/b11-8-,12-10+,14-13+.
What are the key properties of (4Z,6E)-7-methyldodeca-4,6-dien-3-imine?
(4Z,6E)-7-methyldodeca-4,6-dien-3-imine has a molecular weight of 193.33 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-methyldodeca-4,6-dien-3-imine is sourced from PubChem (CID 90392057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).