6-ethylcyclohex-3-en-1-amine;molecular hydrogen

C8H17N — CID 142008891

IUPAC6-ethylcyclohex-3-en-1-amine;molecular hydrogen
SMILESCCC1CC=CCC1N.[H][H]
InChIInChI=1S/C8H15N.H2/c1-2-7-5-3-4-6-8(7)9;/h3-4,7-8H,2,5-6,9H2,1H3;1H
InChIKeyUZIYBGXTJOFFCL-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds1

About 6-ethylcyclohex-3-en-1-amine;molecular hydrogen

6-ethylcyclohex-3-en-1-amine;molecular hydrogen (PubChem CID 142008891) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 6-ethylcyclohex-3-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name6-ethylcyclohex-3-en-1-amine;molecular hydrogen
PubChem CID142008891
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name6-ethylcyclohex-3-en-1-amine;molecular hydrogen
SMILESCCC1CC=CCC1N.[H][H]
InChIInChI=1S/C8H15N.H2/c1-2-7-5-3-4-6-8(7)9;/h3-4,7-8H,2,5-6,9H2,1H3;1H
InChIKeyUZIYBGXTJOFFCL-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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

(1R,6S)-6-ethylcyclohex-3-en-1-amine
CID 129102540
ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine
CID 145304897
(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-amine
CID 45078750
(5R)-4-ethyl-5-methylcyclohexene
CID 154516565
cyclohex-4-ene-1,2-diamine;hydrochloride
CID 19043994
(1R,2R)-cyclohex-4-ene-1,2-diamine;hydrochloride
CID 163198404
(4S)-2-ethyl-4-methylcyclopentan-1-amine
CID 163423682
1-[(1S,6R)-6-[(dimethylamino)methyl]cyclohex-3-en-1-yl]-N,N-dimethylmethanamine
CID 12505970
ethane;(4S,5S)-4-ethyl-5-methylcycloheptene
CID 169190782
6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
CID 86198223
3-ethyl-2-methyl-1,2,3,4-tetrahydropyridine
CID 58247732
5,6-diethylcyclohepta-1,3-diene
CID 90988360

Frequently Asked Questions

What is the IUPAC name of 6-ethylcyclohex-3-en-1-amine;molecular hydrogen?
The IUPAC name of 6-ethylcyclohex-3-en-1-amine;molecular hydrogen (CID 142008891) is 6-ethylcyclohex-3-en-1-amine;molecular hydrogen.
What is the SMILES notation for 6-ethylcyclohex-3-en-1-amine;molecular hydrogen?
The canonical SMILES for 6-ethylcyclohex-3-en-1-amine;molecular hydrogen is CCC1CC=CCC1N.[H][H].
What is the InChIKey of 6-ethylcyclohex-3-en-1-amine;molecular hydrogen?
The InChIKey is UZIYBGXTJOFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.H2/c1-2-7-5-3-4-6-8(7)9;/h3-4,7-8H,2,5-6,9H2,1H3;1H.
What are the key properties of 6-ethylcyclohex-3-en-1-amine;molecular hydrogen?
6-ethylcyclohex-3-en-1-amine;molecular hydrogen has a molecular weight of 127.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylcyclohex-3-en-1-amine;molecular hydrogen is sourced from PubChem (CID 142008891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).