7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine

C13H23N — CID 89282931

IUPAC7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine
SMILES[H]/N=C/C(=C)C(C)CCC=C(CC)CC
InChIInChI=1S/C13H23N/c1-5-13(6-2)9-7-8-11(3)12(4)10-14/h9-11,14H,4-8H2,1-3H3/b14-10+
InChIKeyWVHOEKAFEZPUDD-GXDHUFHOSA-N
MW193.33 g/mol
LogP4.35
Rot. Bonds7

About 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine

7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine (PubChem CID 89282931) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine.

Molecular Properties

Compound Name7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine
PubChem CID89282931
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine
SMILES[H]/N=C/C(=C)C(C)CCC=C(CC)CC
InChIInChI=1S/C13H23N/c1-5-13(6-2)9-7-8-11(3)12(4)10-14/h9-11,14H,4-8H2,1-3H3/b14-10+
InChIKeyWVHOEKAFEZPUDD-GXDHUFHOSA-N
XLogP4.35
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 ≤ 54.35
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 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine?
The IUPAC name of 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine (CID 89282931) is 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine.
What is the SMILES notation for 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine?
The canonical SMILES for 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine is [H]/N=C/C(=C)C(C)CCC=C(CC)CC.
What is the InChIKey of 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine?
The InChIKey is WVHOEKAFEZPUDD-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23N/c1-5-13(6-2)9-7-8-11(3)12(4)10-14/h9-11,14H,4-8H2,1-3H3/b14-10+.
What are the key properties of 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine?
7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-2-methylidenenon-6-en-1-imine is sourced from PubChem (CID 89282931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).