1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol

C11H23NO2 — CID 142967746

IUPAC1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)CO)CC1
InChIInChI=1S/C11H23NO2/c1-9-3-5-11(14,6-4-9)8-12-10(2)7-13/h9-10,12-14H,3-8H2,1-2H3
InChIKeyNIXBUASOGOBPAW-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds4

About 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol

1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 142967746) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID142967746
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)CO)CC1
InChIInChI=1S/C11H23NO2/c1-9-3-5-11(14,6-4-9)8-12-10(2)7-13/h9-10,12-14H,3-8H2,1-2H3
InChIKeyNIXBUASOGOBPAW-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanemethanol, 4-hydroxy-alpha-(isopropylaminomethyl)-
CID 115488
4-Methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 75504707
4-(2-(Methylamino)propyl)cyclohexanol
CID 115669
2-Cyclohexyl-2-(methylamino)ethanol
CID 278542
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
1-[(Propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757357
1-[(2-Methoxyethylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757753
4-Methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 65116389
Cyclohexanol, 1-[[(1,4-dimethylpentyl)amino]methyl]-4,4-dimethyl-
CID 65116794
4-Ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 65118774
4-Methyl-1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65805409
1-[(2-Fluoroethylamino)methyl]-4-methylcyclohexan-1-ol
CID 80694535

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol (CID 142967746) is 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC(C)CO)CC1.
What is the InChIKey of 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is NIXBUASOGOBPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-3-5-11(14,6-4-9)8-12-10(2)7-13/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 142967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).