2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine

C13H25N — CID 123337653

IUPAC2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine
SMILESCCC1=C(C)C(C)C(CCN)CC1C
InChIInChI=1S/C13H25N/c1-5-13-9(2)8-12(6-7-14)10(3)11(13)4/h9-10,12H,5-8,14H2,1-4H3
InChIKeyIWWIJKQSPNVHTE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds3

About 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine

2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine (PubChem CID 123337653) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine
PubChem CID123337653
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine
SMILESCCC1=C(C)C(C)C(CCN)CC1C
InChIInChI=1S/C13H25N/c1-5-13-9(2)8-12(6-7-14)10(3)11(13)4/h9-10,12H,5-8,14H2,1-4H3
InChIKeyIWWIJKQSPNVHTE-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
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

2-[(2S)-2-methylcyclopropyl]ethanamine
CID 154557552
2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine
CID 163544477
2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
CID 59476061
2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
CID 139034685
2-[(2R)-2-methylcyclononyl]ethanamine
CID 139362460
5-butan-2-yl-1,2,3-trimethylcyclohexene
CID 58856701
2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 101328281
2-(8-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-yl)ethanamine
CID 82082839
2-(2-ethylcyclobut-2-en-1-yl)ethanamine
CID 123785656
3-ethyl-2,4,6-trimethyl-1,2-dihydropyridine
CID 126746027
2-[3,5,7-tris(2-aminoethyl)cyclooctyl]ethanamine
CID 19790328
2-(3,5,7-trimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 84622720

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine?
The IUPAC name of 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine (CID 123337653) is 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine is CCC1=C(C)C(C)C(CCN)CC1C.
What is the InChIKey of 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine?
The InChIKey is IWWIJKQSPNVHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-13-9(2)8-12(6-7-14)10(3)11(13)4/h9-10,12H,5-8,14H2,1-4H3.
What are the key properties of 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine?
2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3,5-trimethylcyclohex-3-en-1-yl)ethanamine is sourced from PubChem (CID 123337653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).