3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol

C15H31NO3 — CID 115359847

IUPAC3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC1CCCCC1OCC(O)CNCC(C)(C)CO
InChIInChI=1S/C15H31NO3/c1-12-6-4-5-7-14(12)19-9-13(18)8-16-10-15(2,3)11-17/h12-14,16-18H,4-11H2,1-3H3
InChIKeyBTQBJOKKGWFGJN-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.55
Rot. Bonds8

About 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol

3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115359847) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115359847
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC1CCCCC1OCC(O)CNCC(C)(C)CO
InChIInChI=1S/C15H31NO3/c1-12-6-4-5-7-14(12)19-9-13(18)8-16-10-15(2,3)11-17/h12-14,16-18H,4-11H2,1-3H3
InChIKeyBTQBJOKKGWFGJN-UHFFFAOYSA-N
XLogP1.55
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropanamide
CID 106275908
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962
2,2-dimethyl-3-(2-methylcyclohexyl)oxy-N-(2-methylpropyl)propan-1-amine
CID 79619899
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-[2-[ethyl(methyl)amino]ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62636800
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol (CID 115359847) is 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol is CC1CCCCC1OCC(O)CNCC(C)(C)CO.
What is the InChIKey of 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is BTQBJOKKGWFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-12-6-4-5-7-14(12)19-9-13(18)8-16-10-15(2,3)11-17/h12-14,16-18H,4-11H2,1-3H3.
What are the key properties of 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).