1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine

C13H23N — CID 134478495

IUPAC1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine
SMILESCCC1=CCC(C)C(/C(C)=N/C)CC1
InChIInChI=1S/C13H23N/c1-5-12-7-6-10(2)13(9-8-12)11(3)14-4/h7,10,13H,5-6,8-9H2,1-4H3/b14-11+
InChIKeyICBLHZDNBQNVEC-SDNWHVSQSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds2

About 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine

1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine (PubChem CID 134478495) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine
PubChem CID134478495
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine
SMILESCCC1=CCC(C)C(/C(C)=N/C)CC1
InChIInChI=1S/C13H23N/c1-5-12-7-6-10(2)13(9-8-12)11(3)14-4/h7,10,13H,5-6,8-9H2,1-4H3/b14-11+
InChIKeyICBLHZDNBQNVEC-SDNWHVSQSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
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 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine?
The IUPAC name of 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine (CID 134478495) is 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine.
What is the SMILES notation for 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine?
The canonical SMILES for 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine is CCC1=CCC(C)C(/C(C)=N/C)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine?
The InChIKey is ICBLHZDNBQNVEC-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-5-12-7-6-10(2)13(9-8-12)11(3)14-4/h7,10,13H,5-6,8-9H2,1-4H3/b14-11+.
What are the key properties of 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine?
1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylcyclohept-4-en-1-yl)-N-methylethanimine is sourced from PubChem (CID 134478495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).