7-ethyl-5,6-dimethylcyclohept-2-en-1-imine

C11H19N — CID 123598949

IUPAC7-ethyl-5,6-dimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)C(C)C1CC
InChIInChI=1S/C11H19N/c1-4-10-9(3)8(2)6-5-7-11(10)12/h5,7-10,12H,4,6H2,1-3H3/b12-11+
InChIKeyMFSQAEMJOJSECP-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.26
Rot. Bonds1

About 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine

7-ethyl-5,6-dimethylcyclohept-2-en-1-imine (PubChem CID 123598949) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine.

Molecular Properties

Compound Name7-ethyl-5,6-dimethylcyclohept-2-en-1-imine
PubChem CID123598949
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name7-ethyl-5,6-dimethylcyclohept-2-en-1-imine
SMILES[H]/N=C1\C=CCC(C)C(C)C1CC
InChIInChI=1S/C11H19N/c1-4-10-9(3)8(2)6-5-7-11(10)12/h5,7-10,12H,4,6H2,1-3H3/b12-11+
InChIKeyMFSQAEMJOJSECP-VAWYXSNFSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
6-Methylcyclohex-2-en-1-imine
CID 86188349
5-Methylcyclohex-2-en-1-imine
CID 86188350
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
1-Cyclohex-3-en-1-ylethanimine
CID 88885301

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine?
The IUPAC name of 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine (CID 123598949) is 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine.
What is the SMILES notation for 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine?
The canonical SMILES for 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine is [H]/N=C1\C=CCC(C)C(C)C1CC.
What is the InChIKey of 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine?
The InChIKey is MFSQAEMJOJSECP-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10-9(3)8(2)6-5-7-11(10)12/h5,7-10,12H,4,6H2,1-3H3/b12-11+.
What are the key properties of 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine?
7-ethyl-5,6-dimethylcyclohept-2-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5,6-dimethylcyclohept-2-en-1-imine is sourced from PubChem (CID 123598949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).