[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol

C15H31NO2 — CID 79640739

IUPAC[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCC(C)(C)OC1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-6-14(4,5)18-13-8-7-9-15(10-13,11-17)16-12(2)3/h12-13,16-17H,6-11H2,1-5H3
InChIKeyJHGXOQVAOLMPMY-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.86
Rot. Bonds6

About [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79640739) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79640739
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCC(C)(C)OC1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-6-14(4,5)18-13-8-7-9-15(10-13,11-17)16-12(2)3/h12-13,16-17H,6-11H2,1-5H3
InChIKeyJHGXOQVAOLMPMY-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

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Related Compounds

[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[1-amino-3-(2-methylbutan-2-yloxy)cyclohexyl]methanol
CID 79640493
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
methyl 1-amino-3-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylate
CID 79638001
[1-(ethylamino)-3-(2-methylpropoxy)cyclohexyl]methanol
CID 79640982
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640132
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637925

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79640739) is [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol is CCC(C)(C)OC1CCCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is JHGXOQVAOLMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-14(4,5)18-13-8-7-9-15(10-13,11-17)16-12(2)3/h12-13,16-17H,6-11H2,1-5H3.
What are the key properties of [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 257.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).