1-(cyclohexylamino)ethane-1,2-diol

C8H17NO2 — CID 123616579

IUPAC1-(cyclohexylamino)ethane-1,2-diol
SMILESOCC(O)NC1CCCCC1
InChIInChI=1S/C8H17NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h7-11H,1-6H2
InChIKeyRQWMLWNXIOTSNA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.22
Rot. Bonds3

About 1-(cyclohexylamino)ethane-1,2-diol

1-(cyclohexylamino)ethane-1,2-diol (PubChem CID 123616579) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(cyclohexylamino)ethane-1,2-diol.

Molecular Properties

Compound Name1-(cyclohexylamino)ethane-1,2-diol
PubChem CID123616579
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(cyclohexylamino)ethane-1,2-diol
SMILESOCC(O)NC1CCCCC1
InChIInChI=1S/C8H17NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h7-11H,1-6H2
InChIKeyRQWMLWNXIOTSNA-UHFFFAOYSA-N
XLogP0.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclododecylamino)propan-1-ol
CID 43499740
2-(cycloheptylamino)-2-cyclopropylethanol
CID 61308259
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
2-(cyclooctylamino)-3-methylpentan-1-ol
CID 115891669
1-(cyclopentylamino)ethanol
CID 18784157
2-(cyclopentylamino)-3-hydroxypropanenitrile
CID 104711189
2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol
CID 61055158
5-(cyclooctylamino)-2-ethyl-5-hydroxypentanoic acid
CID 163642366
N-propan-2-ylcycloheptanamine
CID 42562651

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)ethane-1,2-diol?
The IUPAC name of 1-(cyclohexylamino)ethane-1,2-diol (CID 123616579) is 1-(cyclohexylamino)ethane-1,2-diol.
What is the SMILES notation for 1-(cyclohexylamino)ethane-1,2-diol?
The canonical SMILES for 1-(cyclohexylamino)ethane-1,2-diol is OCC(O)NC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)ethane-1,2-diol?
The InChIKey is RQWMLWNXIOTSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h7-11H,1-6H2.
What are the key properties of 1-(cyclohexylamino)ethane-1,2-diol?
1-(cyclohexylamino)ethane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)ethane-1,2-diol is sourced from PubChem (CID 123616579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).