4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine

C11H19N — CID 154370038

IUPAC4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine
SMILESCCC12C=CC(NC)(CC1)CC2
InChIInChI=1S/C11H19N/c1-3-10-4-7-11(12-2,8-5-10)9-6-10/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeyOXSQRMKHOHQDSL-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.48
Rot. Bonds2

About 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine

4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine (PubChem CID 154370038) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine
PubChem CID154370038
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine
SMILESCCC12C=CC(NC)(CC1)CC2
InChIInChI=1S/C11H19N/c1-3-10-4-7-11(12-2,8-5-10)9-6-10/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeyOXSQRMKHOHQDSL-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-N-methylcyclobutan-1-amine
CID 171514918
(1S)-1-ethyl-N-methylcyclohexa-2,4-dien-1-amine
CID 66989053
1-(diethylaminomethyl)-N-methylcyclopropan-1-amine
CID 118350004
5-ethyl-2-oxatricyclo[3.2.1.01,3]oct-3-ene
CID 173060819
(4-methyl-1-bicyclo[2.2.2]oct-2-enyl)methanamine;hydrochloride
CID 160815460
3,3,5,5-tetraethylcyclopentene
CID 141036060
1-(6-ethylpyrimidin-4-yl)-N-methylcyclopropan-1-amine
CID 164822302
3-ethyl-N-methylazepan-3-amine
CID 170571566
6-ethyl-N-methyl-N-[[1-(methylamino)cyclopropyl]methyl]pyridin-2-amine
CID 176666449
1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
3,4-diethyl-3,4-dimethylcyclobutene
CID 123792676
ethane;3-ethyl-N,1-dimethylazetidin-3-amine
CID 164904627

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine?
The IUPAC name of 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine (CID 154370038) is 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine.
What is the SMILES notation for 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine?
The canonical SMILES for 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine is CCC12C=CC(NC)(CC1)CC2.
What is the InChIKey of 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine?
The InChIKey is OXSQRMKHOHQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-10-4-7-11(12-2,8-5-10)9-6-10/h4,7,12H,3,5-6,8-9H2,1-2H3.
What are the key properties of 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine?
4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methylbicyclo[2.2.2]oct-2-en-1-amine is sourced from PubChem (CID 154370038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).