2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol

C15H33NO2 — CID 64802518

IUPAC2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol
SMILESCCCCCCC(C)OCC(C)(CO)NCCC
InChIInChI=1S/C15H33NO2/c1-5-7-8-9-10-14(3)18-13-15(4,12-17)16-11-6-2/h14,16-17H,5-13H2,1-4H3
InChIKeyPCJXMQFHIQYKCY-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.11
Rot. Bonds12

About 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol

2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol (PubChem CID 64802518) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol
PubChem CID64802518
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol
SMILESCCCCCCC(C)OCC(C)(CO)NCCC
InChIInChI=1S/C15H33NO2/c1-5-7-8-9-10-14(3)18-13-15(4,12-17)16-11-6-2/h14,16-17H,5-13H2,1-4H3
InChIKeyPCJXMQFHIQYKCY-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
CID 64809585
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
octan-2-yloxymethanol
CID 57306212
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64826760
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677
2-ethoxytridecane
CID 54143367
1-(cyclopropylamino)-2-methyl-3-octan-2-yloxypropan-2-ol
CID 66334578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol (CID 64802518) is 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol is CCCCCCC(C)OCC(C)(CO)NCCC.
What is the InChIKey of 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol?
The InChIKey is PCJXMQFHIQYKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-7-8-9-10-14(3)18-13-15(4,12-17)16-11-6-2/h14,16-17H,5-13H2,1-4H3.
What are the key properties of 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol?
2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-octan-2-yloxy-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64802518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).