(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol

C10H19NO — CID 10511339

IUPAC(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol
SMILESCCN(CC)[C@H]1C=C[C@H](O)CC1
InChIInChI=1S/C10H19NO/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyZHXWRCQNRKJCJP-UWVGGRQHSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol

(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol (PubChem CID 10511339) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol
PubChem CID10511339
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol
SMILESCCN(CC)[C@H]1C=C[C@H](O)CC1
InChIInChI=1S/C10H19NO/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyZHXWRCQNRKJCJP-UWVGGRQHSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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

(1S)-1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanol
CID 44368115
6-(Dipropylamino)cyclohex-4-ene-1,2,3-triol
CID 44399495
(2S,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70681003
(2R,3S)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689425
(2R,3R)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689426
(2S,3S)-1-butyl-2-(hydroxymethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 70689428
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 10682466
(2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trienyl]-1,2-dimethylpiperidin-3-ol
CID 162915606
(2S)-1-[(2S,6R)-6-[(2S)-2-hydroxybutyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pentan-2-ol
CID 162998608
(1R,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
CID 13214893
(1S,2R,3R,6R)-6-[bis(prop-2-enyl)amino]cyclohex-4-ene-1,2,3-triol
CID 56969455
(1S,4R)-N,N-diethyl-4-methoxycyclohex-2-en-1-amine
CID 134900687

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol?
The IUPAC name of (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol (CID 10511339) is (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol is CCN(CC)[C@H]1C=C[C@H](O)CC1.
What is the InChIKey of (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol?
The InChIKey is ZHXWRCQNRKJCJP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol?
(1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(diethylamino)cyclohex-2-en-1-ol is sourced from PubChem (CID 10511339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).