2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol

C16H35NO2 — CID 103286053

IUPAC2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
SMILESCCCC(C)COCCCCC(C)(CO)NC(C)C
InChIInChI=1S/C16H35NO2/c1-6-9-15(4)12-19-11-8-7-10-16(5,13-18)17-14(2)3/h14-15,17-18H,6-13H2,1-5H3
InChIKeyFOBJECFZQSSRTK-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.36
Rot. Bonds12

About 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol

2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 103286053) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
PubChem CID103286053
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
SMILESCCCC(C)COCCCCC(C)(CO)NC(C)C
InChIInChI=1S/C16H35NO2/c1-6-9-15(4)12-19-11-8-7-10-16(5,13-18)17-14(2)3/h14-15,17-18H,6-13H2,1-5H3
InChIKeyFOBJECFZQSSRTK-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.36
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

2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
CID 103286070
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
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
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol (CID 103286053) is 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol is CCCC(C)COCCCCC(C)(CO)NC(C)C.
What is the InChIKey of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is FOBJECFZQSSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-6-9-15(4)12-19-11-8-7-10-16(5,13-18)17-14(2)3/h14-15,17-18H,6-13H2,1-5H3.
What are the key properties of 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol?
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 273.46 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 103286053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).