[4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol

C11H23NO — CID 61048792

IUPAC[4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NC(C)C)CC1
InChIInChI=1S/C11H23NO/c1-9(2)12-11(8-13)6-4-10(3)5-7-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyJLEVFFAYXRHTOZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds3

About [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol

[4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 61048792) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID61048792
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NC(C)C)CC1
InChIInChI=1S/C11H23NO/c1-9(2)12-11(8-13)6-4-10(3)5-7-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyJLEVFFAYXRHTOZ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azabicyclo(2.2.2)octan-1-ylmethanol
CID 16127399
(4-(Methylamino)cyclohexyl)methanol
CID 20760612
trans-(4-Methylaminomethyl-cyclohexyl)-methanol
CID 22236270
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
2-Cyclohexyl-2-(methylamino)ethanol
CID 278542
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[4-Tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045651
[4-(2-Methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046754
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317
[4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 62552837

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol (CID 61048792) is [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol is CC1CCC(CO)(NC(C)C)CC1.
What is the InChIKey of [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is JLEVFFAYXRHTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12-11(8-13)6-4-10(3)5-7-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol?
[4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 61048792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).