2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol

C17H35NO2 — CID 64802360

IUPAC2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
SMILESCC1CCC(OCCCCC(C)(CO)NC(C)C)CC1
InChIInChI=1S/C17H35NO2/c1-14(2)18-17(4,13-19)11-5-6-12-20-16-9-7-15(3)8-10-16/h14-16,18-19H,5-13H2,1-4H3
InChIKeyOCMXGNKYGIQCAK-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.50
Rot. Bonds9

About 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol

2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64802360) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64802360
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
SMILESCC1CCC(OCCCCC(C)(CO)NC(C)C)CC1
InChIInChI=1S/C17H35NO2/c1-14(2)18-17(4,13-19)11-5-6-12-20-16-9-7-15(3)8-10-16/h14-16,18-19H,5-13H2,1-4H3
InChIKeyOCMXGNKYGIQCAK-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
CID 64805072
4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748
4-cyclohexyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64803235
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol
CID 64802731
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
CID 64807530
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol (CID 64802360) is 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol is CC1CCC(OCCCCC(C)(CO)NC(C)C)CC1.
What is the InChIKey of 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is OCMXGNKYGIQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-14(2)18-17(4,13-19)11-5-6-12-20-16-9-7-15(3)8-10-16/h14-16,18-19H,5-13H2,1-4H3.
What are the key properties of 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol?
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64802360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).