1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol

C16H33NO3 — CID 107152434

IUPAC1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC(O)COC1CCC(C)CC1
InChIInChI=1S/C16H33NO3/c1-12(2)8-14(18)9-17-10-15(19)11-20-16-6-4-13(3)5-7-16/h12-19H,4-11H2,1-3H3
InChIKeyLEPVHCUCLLRIDK-UHFFFAOYSA-N
MW287.44 g/mol
LogP1.94
Rot. Bonds9

About 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol

1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol (PubChem CID 107152434) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
PubChem CID107152434
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC(O)COC1CCC(C)CC1
InChIInChI=1S/C16H33NO3/c1-12(2)8-14(18)9-17-10-15(19)11-20-16-6-4-13(3)5-7-16/h12-19H,4-11H2,1-3H3
InChIKeyLEPVHCUCLLRIDK-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol (CID 107152434) is 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol is CC(C)CC(O)CNCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol?
The InChIKey is LEPVHCUCLLRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-12(2)8-14(18)9-17-10-15(19)11-20-16-6-4-13(3)5-7-16/h12-19H,4-11H2,1-3H3.
What are the key properties of 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol?
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107152434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).