1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol

C15H31NO3 — CID 106292600

IUPAC1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(O)COC1CCCCC1
InChIInChI=1S/C15H31NO3/c1-3-9-15(2,18)12-16-10-13(17)11-19-14-7-5-4-6-8-14/h13-14,16-18H,3-12H2,1-2H3
InChIKeyXGRGTPFFGQNMCI-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.84
Rot. Bonds9

About 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol

1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol (PubChem CID 106292600) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
PubChem CID106292600
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(O)COC1CCCCC1
InChIInChI=1S/C15H31NO3/c1-3-9-15(2,18)12-16-10-13(17)11-19-14-7-5-4-6-8-14/h13-14,16-18H,3-12H2,1-2H3
InChIKeyXGRGTPFFGQNMCI-UHFFFAOYSA-N
XLogP1.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol (CID 106292600) is 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNCC(O)COC1CCCCC1.
What is the InChIKey of 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol?
The InChIKey is XGRGTPFFGQNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-3-9-15(2,18)12-16-10-13(17)11-19-14-7-5-4-6-8-14/h13-14,16-18H,3-12H2,1-2H3.
What are the key properties of 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol?
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106292600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).