2-methyl-1-octoxy-3-(propylamino)propan-2-ol

C15H33NO2 — CID 66335798

IUPAC2-methyl-1-octoxy-3-(propylamino)propan-2-ol
SMILESCCCCCCCCOCC(C)(O)CNCCC
InChIInChI=1S/C15H33NO2/c1-4-6-7-8-9-10-12-18-14-15(3,17)13-16-11-5-2/h16-17H,4-14H2,1-3H3
InChIKeyOCWZHDIRDPZKGU-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.11
Rot. Bonds13

About 2-methyl-1-octoxy-3-(propylamino)propan-2-ol

2-methyl-1-octoxy-3-(propylamino)propan-2-ol (PubChem CID 66335798) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-methyl-1-octoxy-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-octoxy-3-(propylamino)propan-2-ol
PubChem CID66335798
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-methyl-1-octoxy-3-(propylamino)propan-2-ol
SMILESCCCCCCCCOCC(C)(O)CNCCC
InChIInChI=1S/C15H33NO2/c1-4-6-7-8-9-10-12-18-14-15(3,17)13-16-11-5-2/h16-17H,4-14H2,1-3H3
InChIKeyOCWZHDIRDPZKGU-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
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'}

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Related Compounds

1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
5-pentoxy-N-propylpentan-1-amine
CID 62451179
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
3-hexoxy-N-propylpropan-1-amine
CID 62456253
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
3-pentoxy-N-propylpropan-1-amine
CID 62451352
CID 159860963
CID 159860963
N-ethyl-3-heptoxy-2,2-dimethylpropan-1-amine
CID 79621838
1-butoxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66334437
2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
CID 66336556
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-octoxy-3-(propylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-octoxy-3-(propylamino)propan-2-ol (CID 66335798) is 2-methyl-1-octoxy-3-(propylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-octoxy-3-(propylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-octoxy-3-(propylamino)propan-2-ol is CCCCCCCCOCC(C)(O)CNCCC.
What is the InChIKey of 2-methyl-1-octoxy-3-(propylamino)propan-2-ol?
The InChIKey is OCWZHDIRDPZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-4-6-7-8-9-10-12-18-14-15(3,17)13-16-11-5-2/h16-17H,4-14H2,1-3H3.
What are the key properties of 2-methyl-1-octoxy-3-(propylamino)propan-2-ol?
2-methyl-1-octoxy-3-(propylamino)propan-2-ol has a molecular weight of 259.43 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-octoxy-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66335798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).