2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol

C10H22N2O2 — CID 123519723

IUPAC2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol
SMILESCN(O)C(N)C1CCCC(CCO)C1
InChIInChI=1S/C10H22N2O2/c1-12(14)10(11)9-4-2-3-8(7-9)5-6-13/h8-10,13-14H,2-7,11H2,1H3
InChIKeyOAEIJYAEGOJLRM-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds4

About 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol

2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol (PubChem CID 123519723) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol
PubChem CID123519723
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol
SMILESCN(O)C(N)C1CCCC(CCO)C1
InChIInChI=1S/C10H22N2O2/c1-12(14)10(11)9-4-2-3-8(7-9)5-6-13/h8-10,13-14H,2-7,11H2,1H3
InChIKeyOAEIJYAEGOJLRM-UHFFFAOYSA-N
XLogP0.78
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol 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

amino-[3-(hydroxymethyl)cyclohexyl]methanol
CID 170005626
3-[3-(2-hydroxyethyl)cyclohexyl]propan-1-ol
CID 126613373
2-(3-propan-2-ylcyclobutyl)ethanol
CID 70261378
3-[3-(2-hydroxyethyl)cyclopentyl]butan-1-ol
CID 67877346
2-[(3R)-3-cyclopentylcyclohexyl]ethanol
CID 163418407
2-[(1R,3S)-3-aminocyclopentyl]ethanol
CID 129385414
2-[3-(hydroxymethyl)cyclohexyl]propan-1-ol
CID 58104750
(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
CID 124673545
3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
CID 114357128
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol
CID 171937168
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802

Frequently Asked Questions

What is the IUPAC name of 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol?
The IUPAC name of 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol (CID 123519723) is 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol is CN(O)C(N)C1CCCC(CCO)C1.
What is the InChIKey of 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol?
The InChIKey is OAEIJYAEGOJLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12(14)10(11)9-4-2-3-8(7-9)5-6-13/h8-10,13-14H,2-7,11H2,1H3.
What are the key properties of 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol?
2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol has a molecular weight of 202.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[amino-[hydroxy(methyl)amino]methyl]cyclohexyl]ethanol is sourced from PubChem (CID 123519723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).