6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol

C9H15NO2 — CID 69104269

IUPAC6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(NCCO)C=CC=CC1O
InChIInChI=1S/C9H15NO2/c1-9(10-6-7-11)5-3-2-4-8(9)12/h2-5,8,10-12H,6-7H2,1H3
InChIKeyLCXPPFWVMXBBFG-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.19
Rot. Bonds3

About 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol

6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 69104269) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID69104269
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(NCCO)C=CC=CC1O
InChIInChI=1S/C9H15NO2/c1-9(10-6-7-11)5-3-2-4-8(9)12/h2-5,8,10-12H,6-7H2,1H3
InChIKeyLCXPPFWVMXBBFG-UHFFFAOYSA-N
XLogP-0.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Butylamino)-1-(2-fluorocyclohexa-1,5-dien-1-yl)ethanol
CID 169245451
(1R)-2-(tert-butylamino)-1-(2,3-difluorocyclohexa-1,5-dien-1-yl)ethanol
CID 170317612
(3E,5E)-1-(tert-butylamino)-3-ethenyl-5-fluorohepta-3,5-dien-2-ol
CID 172235407
N-(6-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 19773492
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
CID 20196370
1-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)ethanol
CID 20467338
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 53704283
6-Amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol
CID 66697454
6-(1-Hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69347884
6-(1-Hydroxypropylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69575622
6-(Cyclobutylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69625856
6-(3-Hydroxypropylamino)-6-methylcyclohexa-2,4-dien-1-ol
CID 69714727

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol (CID 69104269) is 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol is CC1(NCCO)C=CC=CC1O.
What is the InChIKey of 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is LCXPPFWVMXBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(10-6-7-11)5-3-2-4-8(9)12/h2-5,8,10-12H,6-7H2,1H3.
What are the key properties of 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol?
6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 169.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69104269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).