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

C15H31NO4 — CID 106159746

IUPAC3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO4/c1-12-4-3-5-15(8-12)20-11-14(18)9-16-13(6-7-17)10-19-2/h12-18H,3-11H2,1-2H3
InChIKeyPMPPLPQOAHTQPY-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.93
Rot. Bonds10

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

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol (PubChem CID 106159746) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
PubChem CID106159746
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO4/c1-12-4-3-5-15(8-12)20-11-14(18)9-16-13(6-7-17)10-19-2/h12-18H,3-11H2,1-2H3
InChIKeyPMPPLPQOAHTQPY-UHFFFAOYSA-N
XLogP0.93
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol with MolForge

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Related Compounds

1-(3-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632593
1-(3-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729532
1-(3-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226774
1,1,1-Trifluoro-3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105644912
1,1-Difluoro-3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645461
1-[2-(2,2-Difluoroethoxy)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 105910586
1-(3-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935485
2,2-Difluoro-3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176492
1-(2,2-Difluoroethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 113303746
1-(2-Ethylhexoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 59642188
(2R)-1-(cyclohexylmethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 140917609
[(2R)-2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium
CID 140917621

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol (CID 106159746) is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol is COCC(CCO)NCC(O)COC1CCCC(C)C1.
What is the InChIKey of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol?
The InChIKey is PMPPLPQOAHTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-12-4-3-5-15(8-12)20-11-14(18)9-16-13(6-7-17)10-19-2/h12-18H,3-11H2,1-2H3.
What are the key properties of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol?
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 0.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106159746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).