4-ethyl-3,5-dimethylcyclohex-2-en-1-imine

C10H17N — CID 123539478

IUPAC4-ethyl-3,5-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=C(C)C(CC)C(C)C1
InChIInChI=1S/C10H17N/c1-4-10-7(2)5-9(11)6-8(10)3/h5,8,10-11H,4,6H2,1-3H3/b11-9+
InChIKeyABVDORZQBMNMKV-PKNBQFBNSA-N
MW151.25 g/mol
LogP3.02
Rot. Bonds1

About 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine

4-ethyl-3,5-dimethylcyclohex-2-en-1-imine (PubChem CID 123539478) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-ethyl-3,5-dimethylcyclohex-2-en-1-imine
PubChem CID123539478
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-ethyl-3,5-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C=C(C)C(CC)C(C)C1
InChIInChI=1S/C10H17N/c1-4-10-7(2)5-9(11)6-8(10)3/h5,8,10-11H,4,6H2,1-3H3/b11-9+
InChIKeyABVDORZQBMNMKV-PKNBQFBNSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.02
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

3,5-dimethylcyclohex-2-en-1-imine
CID 12562472
2,3-diethylcyclobutan-1-imine
CID 163689155
4-ethylcyclohex-2-en-1-imine
CID 123411281
6-ethyl-4-iminocyclohex-2-ene-1-carbonitrile
CID 123714000
4,5-dimethylcyclohexane-1,2-diimine
CID 123662086
5-ethylcyclohex-4-ene-1,3-diimine
CID 150111616
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
CID 123572930
(6S)-6-methyl-3-propanimidoylcyclohept-3-en-1-imine
CID 155158436
(3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 163672179
(6S)-3-ethyl-1,4,6-trimethylcyclohexene
CID 163545872
4-ethyl-6-methylcyclohex-2-en-1-imine
CID 123694075

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine?
The IUPAC name of 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine (CID 123539478) is 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine is [H]/N=C1\C=C(C)C(CC)C(C)C1.
What is the InChIKey of 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine?
The InChIKey is ABVDORZQBMNMKV-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10-7(2)5-9(11)6-8(10)3/h5,8,10-11H,4,6H2,1-3H3/b11-9+.
What are the key properties of 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine?
4-ethyl-3,5-dimethylcyclohex-2-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123539478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).