1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

C15H29NO2 — CID 55067409

IUPAC1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC1CCC1
InChIInChI=1S/C15H29NO2/c1-2-12-6-3-4-9-15(12)18-11-14(17)10-16-13-7-5-8-13/h12-17H,2-11H2,1H3
InChIKeySFFMUOQHSUMWLC-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.47
Rot. Bonds7

About 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (PubChem CID 55067409) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
PubChem CID55067409
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC1CCC1
InChIInChI=1S/C15H29NO2/c1-2-12-6-3-4-9-15(12)18-11-14(17)10-16-13-7-5-8-13/h12-17H,2-11H2,1H3
InChIKeySFFMUOQHSUMWLC-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (CID 55067409) is 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is CCC1CCCCC1OCC(O)CNC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The InChIKey is SFFMUOQHSUMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-12-6-3-4-9-15(12)18-11-14(17)10-16-13-7-5-8-13/h12-17H,2-11H2,1H3.
What are the key properties of 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 55067409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).