1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol

C15H29NO4 — CID 104760726

IUPAC1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
SMILESCOC1(CNCC(O)COC2CCCCC2)CCOC1
InChIInChI=1S/C15H29NO4/c1-18-15(7-8-19-12-15)11-16-9-13(17)10-20-14-5-3-2-4-6-14/h13-14,16-17H,2-12H2,1H3
InChIKeyYUQPDWIMVORZJE-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.09
Rot. Bonds8

About 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol

1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol (PubChem CID 104760726) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
PubChem CID104760726
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
SMILESCOC1(CNCC(O)COC2CCCCC2)CCOC1
InChIInChI=1S/C15H29NO4/c1-18-15(7-8-19-12-15)11-16-9-13(17)10-20-14-5-3-2-4-6-14/h13-14,16-17H,2-12H2,1H3
InChIKeyYUQPDWIMVORZJE-UHFFFAOYSA-N
XLogP1.09
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Butylamino)-3-cyclohexyloxypropan-2-ol
CID 14894016
1-Cyclohexyloxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914074
1-(4-Methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914219
1-(2-Methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914220
1-(3-Methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-Hexoxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914268
1-Cyclohexyloxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54916880
1-(2-Ethoxyethoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54916928
1-[2-(Oxolan-2-yl)ethylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 54916976
1-[(2-Methylpropan-2-yl)oxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54917513
1-Cyclohexyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 54938832
1-[(2-Methylpropan-2-yl)oxy]-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014245

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol (CID 104760726) is 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol is COC1(CNCC(O)COC2CCCCC2)CCOC1.
What is the InChIKey of 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The InChIKey is YUQPDWIMVORZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-18-15(7-8-19-12-15)11-16-9-13(17)10-20-14-5-3-2-4-6-14/h13-14,16-17H,2-12H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol has a molecular weight of 287.40 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 104760726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).