4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol

C12H23NO — CID 91371805

IUPAC4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol
SMILESCCN(CC)CCC1=CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)10-9-11-5-7-12(14)8-6-11/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyFHAQDKBTYKDEHV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol

4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol (PubChem CID 91371805) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol
PubChem CID91371805
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol
SMILESCCN(CC)CCC1=CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)10-9-11-5-7-12(14)8-6-11/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyFHAQDKBTYKDEHV-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S,3Z)-2-(diethylamino)-3-tetradecylidenecyclohexan-1-ol
CID 44446335
(6S,7aS)-1-methyl-2,3,5,6,7,7a-hexahydroindol-6-ol
CID 118709205
4-Cyclohexene-1,2-diol, 4-[2-(1-piperidinyl)ethyl]-
CID 12393790
4-[2-(Dimethylamino)ethyl]cyclohex-4-ene-1,2-diol
CID 21325366
trans-4-[2-(Dimethylamino)-ethyl]-4-cyclohexene-1,2-diol
CID 54092690
(1R,2S)-4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol
CID 54092691
[(12R)-12-hydroxyoctadec-9-enyl]-trimethylazanium
CID 54221014
tris[(12R)-12-hydroxyoctadec-9-enyl]-methylazanium
CID 54232076
(1R,2S)-4-(2-piperidin-1-ylethyl)cyclohex-4-ene-1,2-diol
CID 54271158
bis[(12R)-12-hydroxyoctadec-9-enyl]-dimethylazanium
CID 54421860
3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-propan-1-ol
CID 57434761
(Z)-9-(diethylamino)-6-methylnon-5-en-2-ol
CID 58490282

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol?
The IUPAC name of 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol (CID 91371805) is 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol?
The canonical SMILES for 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol is CCN(CC)CCC1=CCC(O)CC1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol?
The InChIKey is FHAQDKBTYKDEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13(4-2)10-9-11-5-7-12(14)8-6-11/h5,12,14H,3-4,6-10H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol?
4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 91371805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).