1-aminoethanol;cyclohexanecarboxylic acid

C9H19NO3 — CID 173051544

IUPAC1-aminoethanol;cyclohexanecarboxylic acid
SMILESCC(N)O.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h6H,1-5H2,(H,8,9);2,4H,3H2,1H3
InChIKeyPQPIJOKNGTZILP-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.93
Rot. Bonds1

About 1-aminoethanol;cyclohexanecarboxylic acid

1-aminoethanol;cyclohexanecarboxylic acid (PubChem CID 173051544) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-aminoethanol;cyclohexanecarboxylic acid.

Molecular Properties

Compound Name1-aminoethanol;cyclohexanecarboxylic acid
PubChem CID173051544
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-aminoethanol;cyclohexanecarboxylic acid
SMILESCC(N)O.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h6H,1-5H2,(H,8,9);2,4H,3H2,1H3
InChIKeyPQPIJOKNGTZILP-UHFFFAOYSA-N
XLogP0.93
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminoethanol;cyclohexanecarboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclopentanecarboxylic acid;indigane
CID 173230713

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;cyclohexanecarboxylic acid?
The IUPAC name of 1-aminoethanol;cyclohexanecarboxylic acid (CID 173051544) is 1-aminoethanol;cyclohexanecarboxylic acid.
What is the SMILES notation for 1-aminoethanol;cyclohexanecarboxylic acid?
The canonical SMILES for 1-aminoethanol;cyclohexanecarboxylic acid is CC(N)O.O=C(O)C1CCCCC1.
What is the InChIKey of 1-aminoethanol;cyclohexanecarboxylic acid?
The InChIKey is PQPIJOKNGTZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C2H7NO/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h6H,1-5H2,(H,8,9);2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;cyclohexanecarboxylic acid?
1-aminoethanol;cyclohexanecarboxylic acid has a molecular weight of 189.25 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;cyclohexanecarboxylic acid is sourced from PubChem (CID 173051544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).