3-aminooxycyclohexan-1-ol

C6H13NO2 — CID 70224343

IUPAC3-aminooxycyclohexan-1-ol
SMILESNOC1CCCC(O)C1
InChIInChI=1S/C6H13NO2/c7-9-6-3-1-2-5(8)4-6/h5-6,8H,1-4,7H2
InChIKeyZYLVQJSYNBXZNH-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.18
Rot. Bonds1

About 3-aminooxycyclohexan-1-ol

3-aminooxycyclohexan-1-ol (PubChem CID 70224343) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-aminooxycyclohexan-1-ol.

Molecular Properties

Compound Name3-aminooxycyclohexan-1-ol
PubChem CID70224343
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-aminooxycyclohexan-1-ol
SMILESNOC1CCCC(O)C1
InChIInChI=1S/C6H13NO2/c7-9-6-3-1-2-5(8)4-6/h5-6,8H,1-4,7H2
InChIKeyZYLVQJSYNBXZNH-UHFFFAOYSA-N
XLogP0.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-aminooxycyclopentan-1-ol
CID 105427097
cis-(1R,3S)-3-[(1S,3R)-3-hydroxycyclohexyl]oxycyclohexan-1-ol
CID 69296873
3-cyclopropyloxycyclohexan-1-ol
CID 171660382
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
[(1S,3S)-3-hydroxycyclohexyl] methanesulfonate
CID 88644147
3-(cyclopropylmethoxy)cyclohexan-1-ol
CID 79618368
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
potassium cyclohexane-1,3-diol
CID 22067166
3-phenoxycyclohexan-1-ol
CID 79617811
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-ol
CID 14172793
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193

Frequently Asked Questions

What is the IUPAC name of 3-aminooxycyclohexan-1-ol?
The IUPAC name of 3-aminooxycyclohexan-1-ol (CID 70224343) is 3-aminooxycyclohexan-1-ol.
What is the SMILES notation for 3-aminooxycyclohexan-1-ol?
The canonical SMILES for 3-aminooxycyclohexan-1-ol is NOC1CCCC(O)C1.
What is the InChIKey of 3-aminooxycyclohexan-1-ol?
The InChIKey is ZYLVQJSYNBXZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c7-9-6-3-1-2-5(8)4-6/h5-6,8H,1-4,7H2.
What are the key properties of 3-aminooxycyclohexan-1-ol?
3-aminooxycyclohexan-1-ol has a molecular weight of 131.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxycyclohexan-1-ol is sourced from PubChem (CID 70224343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).