1-butoxy-3-(dibutylamino)propan-2-ol

C15H33NO2 — CID 3040149

IUPAC1-butoxy-3-(dibutylamino)propan-2-ol
SMILESCCCCOCC(O)CN(CCCC)CCCC
InChIInChI=1S/C15H33NO2/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3/h15,17H,4-14H2,1-3H3
InChIKeyWWOYTPYZWJKMJW-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.07
Rot. Bonds13

About 1-butoxy-3-(dibutylamino)propan-2-ol

1-butoxy-3-(dibutylamino)propan-2-ol (PubChem CID 3040149) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 1-butoxy-3-(dibutylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(dibutylamino)propan-2-ol
PubChem CID3040149
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name1-butoxy-3-(dibutylamino)propan-2-ol
SMILESCCCCOCC(O)CN(CCCC)CCCC
InChIInChI=1S/C15H33NO2/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3/h15,17H,4-14H2,1-3H3
InChIKeyWWOYTPYZWJKMJW-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propanol, 1-butoxy-3-(dimethylamino)-
CID 13147009
1-Butoxy-3-(morpholin-4-yl)propan-2-ol
CID 215187
2-Propanol, 1-butoxy-3-(diethylamino)-
CID 208770
1-tert-Butoxy-3-(diethylamino)propan-2-ol
CID 3078054
1-Butoxy-3-(piperidin-1-yl)propan-2-ol
CID 566700
2-(2-Dibutylamino-ethoxy)-ethanol
CID 174967
1,7-Didiethylamino-2,6-dihydroxy-4-oxaheptane
CID 559880
2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride
CID 3040148
1-(Diethylamino)-3-methoxypropan-2-ol
CID 3726144
1-Methoxy-3-(morpholin-4-yl)propan-2-ol
CID 4645420
alpha-((2-Methylpropoxy)methyl)pyrrolidine-1-ethanol
CID 6452140
2-Propanol, 3-(1-piperidyl)-1-propoxy-
CID 566887

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(dibutylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(dibutylamino)propan-2-ol (CID 3040149) is 1-butoxy-3-(dibutylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(dibutylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(dibutylamino)propan-2-ol is CCCCOCC(O)CN(CCCC)CCCC.
What is the InChIKey of 1-butoxy-3-(dibutylamino)propan-2-ol?
The InChIKey is WWOYTPYZWJKMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3/h15,17H,4-14H2,1-3H3.
What are the key properties of 1-butoxy-3-(dibutylamino)propan-2-ol?
1-butoxy-3-(dibutylamino)propan-2-ol has a molecular weight of 259.43 g/mol, XLogP of 3.07, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(dibutylamino)propan-2-ol is sourced from PubChem (CID 3040149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).