1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol

C16H33NO2 — CID 103966285

IUPAC1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
SMILESCC(C)OCC(O)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO2/c1-12(2)19-10-14(18)9-17-13-7-15(3,4)11-16(5,6)8-13/h12-14,17-18H,7-11H2,1-6H3
InChIKeyKHXFZPLMZBLWDC-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds6

About 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol

1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol (PubChem CID 103966285) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
PubChem CID103966285
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
SMILESCC(C)OCC(O)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H33NO2/c1-12(2)19-10-14(18)9-17-13-7-15(3,4)11-16(5,6)8-13/h12-14,17-18H,7-11H2,1-6H3
InChIKeyKHXFZPLMZBLWDC-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62396754
1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103991359
methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 113359608
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 65472026
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 114545948
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
methyl 2-bromo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 103263743

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol (CID 103966285) is 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol is CC(C)OCC(O)CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
The InChIKey is KHXFZPLMZBLWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-12(2)19-10-14(18)9-17-13-7-15(3,4)11-16(5,6)8-13/h12-14,17-18H,7-11H2,1-6H3.
What are the key properties of 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103966285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).