2-[4-(diethylamino)cyclohexen-1-yl]ethanol

C12H23NO — CID 91437798

IUPAC2-[4-(diethylamino)cyclohexen-1-yl]ethanol
SMILESCCN(CC)C1CC=C(CCO)CC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)12-7-5-11(6-8-12)9-10-14/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyUDQKDKXMQJWNAK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-(diethylamino)cyclohexen-1-yl]ethanol

2-[4-(diethylamino)cyclohexen-1-yl]ethanol (PubChem CID 91437798) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[4-(diethylamino)cyclohexen-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(diethylamino)cyclohexen-1-yl]ethanol
PubChem CID91437798
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[4-(diethylamino)cyclohexen-1-yl]ethanol
SMILESCCN(CC)C1CC=C(CCO)CC1
InChIInChI=1S/C12H23NO/c1-3-13(4-2)12-7-5-11(6-8-12)9-10-14/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyUDQKDKXMQJWNAK-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

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CID 23748023
2-[1-(1-Cyclohexenylmethyl) 2-pyrrolidinyl]ethanol
CID 13507086
3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-propan-1-ol
CID 57434761
(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol
CID 70186852
3-(Cyclohexen-1-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 70484225
2-(Cyclohexen-1-ylmethyl)-1-ethylpyrrolidin-2-ol
CID 70531556
(3E)-2-(dimethylamino)-3-ethylidenehept-6-en-1-ol
CID 88360391
4-[2-[Ethyl(propyl)amino]ethyl]cyclohex-3-en-1-ol
CID 90766690
4-[2-(Diethylamino)ethyl]cyclohex-3-en-1-ol
CID 91371805
3-(1-Methyl-2,3,6,7-tetrahydroazepin-4-yl)propan-1-ol
CID 156467843
[(2S)-1,5-dimethyl-2,3,4,7-tetrahydroazepin-2-yl]methanol
CID 168224528
[(2R)-1,5-dimethyl-2,3,4,7-tetrahydroazepin-2-yl]methanol
CID 168224861

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)cyclohexen-1-yl]ethanol?
The IUPAC name of 2-[4-(diethylamino)cyclohexen-1-yl]ethanol (CID 91437798) is 2-[4-(diethylamino)cyclohexen-1-yl]ethanol.
What is the SMILES notation for 2-[4-(diethylamino)cyclohexen-1-yl]ethanol?
The canonical SMILES for 2-[4-(diethylamino)cyclohexen-1-yl]ethanol is CCN(CC)C1CC=C(CCO)CC1.
What is the InChIKey of 2-[4-(diethylamino)cyclohexen-1-yl]ethanol?
The InChIKey is UDQKDKXMQJWNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-13(4-2)12-7-5-11(6-8-12)9-10-14/h5,12,14H,3-4,6-10H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)cyclohexen-1-yl]ethanol?
2-[4-(diethylamino)cyclohexen-1-yl]ethanol 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 2-[4-(diethylamino)cyclohexen-1-yl]ethanol is sourced from PubChem (CID 91437798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).