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

C13H25NO — CID 90766690

IUPAC4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol
SMILESCCCN(CC)CCC1=CCC(O)CC1
InChIInChI=1S/C13H25NO/c1-3-10-14(4-2)11-9-12-5-7-13(15)8-6-12/h5,13,15H,3-4,6-11H2,1-2H3
InChIKeyQIZRAYAYKPTSTF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds6

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

4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol (PubChem CID 90766690) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol
PubChem CID90766690
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol
SMILESCCCN(CC)CCC1=CCC(O)CC1
InChIInChI=1S/C13H25NO/c1-3-10-14(4-2)11-9-12-5-7-13(15)8-6-12/h5,13,15H,3-4,6-11H2,1-2H3
InChIKeyQIZRAYAYKPTSTF-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol?
The IUPAC name of 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol (CID 90766690) is 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol.
What is the SMILES notation for 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol?
The canonical SMILES for 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol is CCCN(CC)CCC1=CCC(O)CC1.
What is the InChIKey of 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol?
The InChIKey is QIZRAYAYKPTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-10-14(4-2)11-9-12-5-7-13(15)8-6-12/h5,13,15H,3-4,6-11H2,1-2H3.
What are the key properties of 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol?
4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 90766690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).