1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol

C16H31NO3 — CID 63711316

IUPAC1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
SMILESCC1CCC(OCC(O)CNCC2CCOCC2)CC1
InChIInChI=1S/C16H31NO3/c1-13-2-4-16(5-3-13)20-12-15(18)11-17-10-14-6-8-19-9-7-14/h13-18H,2-12H2,1H3
InChIKeyQCXZWUVJJOIRSY-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.96
Rot. Bonds7

About 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol

1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol (PubChem CID 63711316) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
PubChem CID63711316
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
SMILESCC1CCC(OCC(O)CNCC2CCOCC2)CC1
InChIInChI=1S/C16H31NO3/c1-13-2-4-16(5-3-13)20-12-15(18)11-17-10-14-6-8-19-9-7-14/h13-18H,2-12H2,1H3
InChIKeyQCXZWUVJJOIRSY-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(oxan-4-ylmethylamino)pentan-2-ol
CID 115685627
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(4-methylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040454
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol (CID 63711316) is 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol is CC1CCC(OCC(O)CNCC2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol?
The InChIKey is QCXZWUVJJOIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-13-2-4-16(5-3-13)20-12-15(18)11-17-10-14-6-8-19-9-7-14/h13-18H,2-12H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol?
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63711316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).