4,7-dimethylnon-5-en-2-imine

C11H21N — CID 123656908

IUPAC4,7-dimethylnon-5-en-2-imine
SMILES[H]/N=C(\C)CC(C)C=CC(C)CC
InChIInChI=1S/C11H21N/c1-5-9(2)6-7-10(3)8-11(4)12/h6-7,9-10,12H,5,8H2,1-4H3/b7-6?,12-11+
InChIKeyXQQATYGVAFECQR-MBYXZZKVSA-N
MW167.30 g/mol
LogP3.65
Rot. Bonds5

About 4,7-dimethylnon-5-en-2-imine

4,7-dimethylnon-5-en-2-imine (PubChem CID 123656908) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4,7-dimethylnon-5-en-2-imine.

Molecular Properties

Compound Name4,7-dimethylnon-5-en-2-imine
PubChem CID123656908
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4,7-dimethylnon-5-en-2-imine
SMILES[H]/N=C(\C)CC(C)C=CC(C)CC
InChIInChI=1S/C11H21N/c1-5-9(2)6-7-10(3)8-11(4)12/h6-7,9-10,12H,5,8H2,1-4H3/b7-6?,12-11+
InChIKeyXQQATYGVAFECQR-MBYXZZKVSA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylnon-5-en-2-imine?
The IUPAC name of 4,7-dimethylnon-5-en-2-imine (CID 123656908) is 4,7-dimethylnon-5-en-2-imine.
What is the SMILES notation for 4,7-dimethylnon-5-en-2-imine?
The canonical SMILES for 4,7-dimethylnon-5-en-2-imine is [H]/N=C(\C)CC(C)C=CC(C)CC.
What is the InChIKey of 4,7-dimethylnon-5-en-2-imine?
The InChIKey is XQQATYGVAFECQR-MBYXZZKVSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9(2)6-7-10(3)8-11(4)12/h6-7,9-10,12H,5,8H2,1-4H3/b7-6?,12-11+.
What are the key properties of 4,7-dimethylnon-5-en-2-imine?
4,7-dimethylnon-5-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylnon-5-en-2-imine is sourced from PubChem (CID 123656908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).