2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol

C8H17NO3 — CID 90745280

IUPAC2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol
SMILESNC(C(O)O)C1CCCCC1O
InChIInChI=1S/C8H17NO3/c9-7(8(11)12)5-3-1-2-4-6(5)10/h5-8,10-12H,1-4,9H2
InChIKeyABGQVOXXTXYXHB-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.82
Rot. Bonds2

About 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol

2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol (PubChem CID 90745280) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol
PubChem CID90745280
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol
SMILESNC(C(O)O)C1CCCCC1O
InChIInChI=1S/C8H17NO3/c9-7(8(11)12)5-3-1-2-4-6(5)10/h5-8,10-12H,1-4,9H2
InChIKeyABGQVOXXTXYXHB-UHFFFAOYSA-N
XLogP-0.82
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
(2R)-2-amino-2-cyclopropylethane-1,1-diol
CID 130242537
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
2-(3-hydroxybutan-2-yl)cyclopentan-1-ol
CID 79424723
(2S)-1,2-bis(2-bromocyclohexyl)ethane-1,2-diol
CID 140533314
2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol
CID 90078523
ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate
CID 91367950
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol?
The IUPAC name of 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol (CID 90745280) is 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol.
What is the SMILES notation for 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol?
The canonical SMILES for 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol is NC(C(O)O)C1CCCCC1O.
What is the InChIKey of 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol?
The InChIKey is ABGQVOXXTXYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c9-7(8(11)12)5-3-1-2-4-6(5)10/h5-8,10-12H,1-4,9H2.
What are the key properties of 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol?
2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol has a molecular weight of 175.23 g/mol, XLogP of -0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol is sourced from PubChem (CID 90745280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).