9-methyl-6-methylidenedeca-7,9-dien-2-imine

C12H19N — CID 123858436

IUPAC9-methyl-6-methylidenedeca-7,9-dien-2-imine
SMILES[H]/N=C(\C)CCCC(=C)C=CC(=C)C
InChIInChI=1S/C12H19N/c1-10(2)8-9-11(3)6-5-7-12(4)13/h8-9,13H,1,3,5-7H2,2,4H3/b9-8?,13-12+
InChIKeyQASUYVXMWGDUTA-ZMKFLKKNSA-N
MW177.29 g/mol
LogP3.88
Rot. Bonds6

About 9-methyl-6-methylidenedeca-7,9-dien-2-imine

9-methyl-6-methylidenedeca-7,9-dien-2-imine (PubChem CID 123858436) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 9-methyl-6-methylidenedeca-7,9-dien-2-imine.

Molecular Properties

Compound Name9-methyl-6-methylidenedeca-7,9-dien-2-imine
PubChem CID123858436
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name9-methyl-6-methylidenedeca-7,9-dien-2-imine
SMILES[H]/N=C(\C)CCCC(=C)C=CC(=C)C
InChIInChI=1S/C12H19N/c1-10(2)8-9-11(3)6-5-7-12(4)13/h8-9,13H,1,3,5-7H2,2,4H3/b9-8?,13-12+
InChIKeyQASUYVXMWGDUTA-ZMKFLKKNSA-N
XLogP3.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.88
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 9-methyl-6-methylidenedeca-7,9-dien-2-imine?
The IUPAC name of 9-methyl-6-methylidenedeca-7,9-dien-2-imine (CID 123858436) is 9-methyl-6-methylidenedeca-7,9-dien-2-imine.
What is the SMILES notation for 9-methyl-6-methylidenedeca-7,9-dien-2-imine?
The canonical SMILES for 9-methyl-6-methylidenedeca-7,9-dien-2-imine is [H]/N=C(\C)CCCC(=C)C=CC(=C)C.
What is the InChIKey of 9-methyl-6-methylidenedeca-7,9-dien-2-imine?
The InChIKey is QASUYVXMWGDUTA-ZMKFLKKNSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)8-9-11(3)6-5-7-12(4)13/h8-9,13H,1,3,5-7H2,2,4H3/b9-8?,13-12+.
What are the key properties of 9-methyl-6-methylidenedeca-7,9-dien-2-imine?
9-methyl-6-methylidenedeca-7,9-dien-2-imine has a molecular weight of 177.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-methylidenedeca-7,9-dien-2-imine is sourced from PubChem (CID 123858436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).