1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol

C12H25NO2 — CID 60633332

IUPAC1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CCCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)15-9-12(14)8-13-11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3
InChIKeyFIBSFAXTIIXBBT-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.69
Rot. Bonds6

About 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol

1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 60633332) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID60633332
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CCCCC1
InChIInChI=1S/C12H25NO2/c1-10(2)15-9-12(14)8-13-11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3
InChIKeyFIBSFAXTIIXBBT-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 65472026
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol (CID 60633332) is 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is FIBSFAXTIIXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)15-9-12(14)8-13-11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol?
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60633332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).