6-methyl-3-methylidenehept-5-en-2-imine

C9H15N — CID 139423531

IUPAC6-methyl-3-methylidenehept-5-en-2-imine
SMILES[H]/N=C(\C)C(=C)CC=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-8(3)9(4)10/h5,10H,3,6H2,1-2,4H3/b10-9+
InChIKeyZNVMISAFNOQUAU-MDZDMXLPSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds3

About 6-methyl-3-methylidenehept-5-en-2-imine

6-methyl-3-methylidenehept-5-en-2-imine (PubChem CID 139423531) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-methyl-3-methylidenehept-5-en-2-imine.

Molecular Properties

Compound Name6-methyl-3-methylidenehept-5-en-2-imine
PubChem CID139423531
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-methyl-3-methylidenehept-5-en-2-imine
SMILES[H]/N=C(\C)C(=C)CC=C(C)C
InChIInChI=1S/C9H15N/c1-7(2)5-6-8(3)9(4)10/h5,10H,3,6H2,1-2,4H3/b10-9+
InChIKeyZNVMISAFNOQUAU-MDZDMXLPSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.94
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 6-methyl-3-methylidenehept-5-en-2-imine?
The IUPAC name of 6-methyl-3-methylidenehept-5-en-2-imine (CID 139423531) is 6-methyl-3-methylidenehept-5-en-2-imine.
What is the SMILES notation for 6-methyl-3-methylidenehept-5-en-2-imine?
The canonical SMILES for 6-methyl-3-methylidenehept-5-en-2-imine is [H]/N=C(\C)C(=C)CC=C(C)C.
What is the InChIKey of 6-methyl-3-methylidenehept-5-en-2-imine?
The InChIKey is ZNVMISAFNOQUAU-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)5-6-8(3)9(4)10/h5,10H,3,6H2,1-2,4H3/b10-9+.
What are the key properties of 6-methyl-3-methylidenehept-5-en-2-imine?
6-methyl-3-methylidenehept-5-en-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-methylidenehept-5-en-2-imine is sourced from PubChem (CID 139423531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).