1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol

C14H29NO2 — CID 43166172

IUPAC1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC(C)C
InChIInChI=1S/C14H29NO2/c1-4-12-7-5-6-8-14(12)17-10-13(16)9-15-11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyJSXLKIMPLYDMRL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds7

About 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166172) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166172
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC(C)C
InChIInChI=1S/C14H29NO2/c1-4-12-7-5-6-8-14(12)17-10-13(16)9-15-11(2)3/h11-16H,4-10H2,1-3H3
InChIKeyJSXLKIMPLYDMRL-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol (CID 43166172) is 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol is CCC1CCCCC1OCC(O)CNC(C)C.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is JSXLKIMPLYDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-12-7-5-6-8-14(12)17-10-13(16)9-15-11(2)3/h11-16H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).