2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol

C16H35NO2 — CID 64809585

IUPAC2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
SMILESCCCCCCC(C)OCCC(C)(CO)NCCC
InChIInChI=1S/C16H35NO2/c1-5-7-8-9-10-15(3)19-13-11-16(4,14-18)17-12-6-2/h15,17-18H,5-14H2,1-4H3
InChIKeyAALHLTWPNBRZOI-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.50
Rot. Bonds13

About 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol

2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol (PubChem CID 64809585) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
PubChem CID64809585
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
SMILESCCCCCCC(C)OCCC(C)(CO)NCCC
InChIInChI=1S/C16H35NO2/c1-5-7-8-9-10-15(3)19-13-11-16(4,14-18)17-12-6-2/h15,17-18H,5-14H2,1-4H3
InChIKeyAALHLTWPNBRZOI-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
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

2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol
CID 64802518
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)butan-1-ol
CID 82009789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol (CID 64809585) is 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol is CCCCCCC(C)OCCC(C)(CO)NCCC.
What is the InChIKey of 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol?
The InChIKey is AALHLTWPNBRZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-5-7-8-9-10-15(3)19-13-11-16(4,14-18)17-12-6-2/h15,17-18H,5-14H2,1-4H3.
What are the key properties of 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol?
2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol has a molecular weight of 273.46 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64809585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).