2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol

C14H31NO2 — CID 64802775

IUPAC2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOCC(C)C
InChIInChI=1S/C14H31NO2/c1-5-9-15-14(4,12-16)8-6-7-10-17-11-13(2)3/h13,15-16H,5-12H2,1-4H3
InChIKeyGCJPIXAIMXEXLR-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.58
Rot. Bonds11

About 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol

2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol (PubChem CID 64802775) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
PubChem CID64802775
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCOCC(C)C
InChIInChI=1S/C14H31NO2/c1-5-9-15-14(4,12-16)8-6-7-10-17-11-13(2)3/h13,15-16H,5-12H2,1-4H3
InChIKeyGCJPIXAIMXEXLR-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.58
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-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384
2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
CID 106452373
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 82009789
2-(ethylamino)-2-methyl-6-(4-methylpentoxy)hexan-1-ol
CID 64802741
2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
CID 103286070
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
2-(ethylamino)-6-(2-ethylhexoxy)-2-methylhexan-1-ol
CID 64802738
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol?
The IUPAC name of 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol (CID 64802775) is 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol?
The canonical SMILES for 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCOCC(C)C.
What is the InChIKey of 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol?
The InChIKey is GCJPIXAIMXEXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-9-15-14(4,12-16)8-6-7-10-17-11-13(2)3/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol?
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64802775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).