[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol

C16H33NO2 — CID 79640126

IUPAC[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(OCCC(C)(C)C)C1
InChIInChI=1S/C16H33NO2/c1-13(2)17-16(12-18)8-6-7-14(11-16)19-10-9-15(3,4)5/h13-14,17-18H,6-12H2,1-5H3
InChIKeyZZLUUAFWGLXQFP-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds6

About [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79640126) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79640126
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(OCCC(C)(C)C)C1
InChIInChI=1S/C16H33NO2/c1-13(2)17-16(12-18)8-6-7-14(11-16)19-10-9-15(3,4)5/h13-14,17-18H,6-12H2,1-5H3
InChIKeyZZLUUAFWGLXQFP-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640739
[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957194
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640574
[1-(ethylamino)-3-(2-methylpropoxy)cyclohexyl]methanol
CID 79640982
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
CID 104567748
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79640126) is [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(OCCC(C)(C)C)C1.
What is the InChIKey of [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is ZZLUUAFWGLXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2)17-16(12-18)8-6-7-14(11-16)19-10-9-15(3,4)5/h13-14,17-18H,6-12H2,1-5H3.
What are the key properties of [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 271.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).