3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol

C11H23NO2 — CID 104934327

IUPAC3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCCCC1CO
InChIInChI=1S/C11H23NO2/c1-9(7-13)6-12-11-5-3-2-4-10(11)8-14/h9-14H,2-8H2,1H3
InChIKeyZXKWOYDXMPNJJJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.76
Rot. Bonds5

About 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol

3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol (PubChem CID 104934327) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
PubChem CID104934327
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNC1CCCCC1CO
InChIInChI=1S/C11H23NO2/c1-9(7-13)6-12-11-5-3-2-4-10(11)8-14/h9-14H,2-8H2,1H3
InChIKeyZXKWOYDXMPNJJJ-UHFFFAOYSA-N
XLogP0.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
CID 106360707
1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 106360589
[(1R,2R)-2-(prop-2-ynylamino)cyclohexyl]methanol
CID 130608522
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
CID 104934399
3,3,3-trifluoro-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanoic acid
CID 106362475
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170
[2-[2-(dimethylamino)ethylamino]cyclohexyl]methanol
CID 104934564
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol (CID 104934327) is 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol is CC(CO)CNC1CCCCC1CO.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
The InChIKey is ZXKWOYDXMPNJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(7-13)6-12-11-5-3-2-4-10(11)8-14/h9-14H,2-8H2,1H3.
What are the key properties of 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol?
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 104934327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).