5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol

C9H15NO2 — CID 69461345

IUPAC5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(O)C1(C)C(N)=CC=CC1O
InChIInChI=1S/C9H15NO2/c1-6(11)9(2)7(10)4-3-5-8(9)12/h3-6,8,11-12H,10H2,1-2H3
InChIKeyUOEHRTCXKLWGRQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.15
Rot. Bonds1

About 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol

5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 69461345) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID69461345
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC(O)C1(C)C(N)=CC=CC1O
InChIInChI=1S/C9H15NO2/c1-6(11)9(2)7(10)4-3-5-8(9)12/h3-6,8,11-12H,10H2,1-2H3
InChIKeyUOEHRTCXKLWGRQ-UHFFFAOYSA-N
XLogP0.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol (CID 69461345) is 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol is CC(O)C1(C)C(N)=CC=CC1O.
What is the InChIKey of 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is UOEHRTCXKLWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)9(2)7(10)4-3-5-8(9)12/h3-6,8,11-12H,10H2,1-2H3.
What are the key properties of 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol?
5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 169.22 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-hydroxyethyl)-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69461345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).