5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol

C9H15NO2 — CID 146625898

IUPAC5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(NCCO)CCC=C1O
InChIInChI=1S/C9H15NO2/c1-7-8(10-5-6-11)3-2-4-9(7)12/h4,10-12H,2-3,5-6H2,1H3
InChIKeyZWNPGAIWSRTBEH-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.08
Rot. Bonds3

About 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol

5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol (PubChem CID 146625898) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol
PubChem CID146625898
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(NCCO)CCC=C1O
InChIInChI=1S/C9H15NO2/c1-7-8(10-5-6-11)3-2-4-9(7)12/h4,10-12H,2-3,5-6H2,1H3
InChIKeyZWNPGAIWSRTBEH-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol (CID 146625898) is 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol is CC1=C(NCCO)CCC=C1O.
What is the InChIKey of 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is ZWNPGAIWSRTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-8(10-5-6-11)3-2-4-9(7)12/h4,10-12H,2-3,5-6H2,1H3.
What are the key properties of 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol?
5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-6-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 146625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).