6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol

C8H13NO — CID 123385340

IUPAC6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(N)C1C=CC=CC1O
InChIInChI=1S/C8H13NO/c1-6(9)7-4-2-3-5-8(7)10/h2-8,10H,9H2,1H3
InChIKeyCSRZHMSWHPFIEM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.44
Rot. Bonds1

About 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol

6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 123385340) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol
PubChem CID123385340
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(N)C1C=CC=CC1O
InChIInChI=1S/C8H13NO/c1-6(9)7-4-2-3-5-8(7)10/h2-8,10H,9H2,1H3
InChIKeyCSRZHMSWHPFIEM-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol (CID 123385340) is 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol is CC(N)C1C=CC=CC1O.
What is the InChIKey of 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is CSRZHMSWHPFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(9)7-4-2-3-5-8(7)10/h2-8,10H,9H2,1H3.
What are the key properties of 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol?
6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123385340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).