2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride

C15H34ClNO2 — CID 3040148

IUPAC1-butoxy-3-(dibutylamino)propan-2-ol;hydrochloride
SMILESCCCCN(CCCC)CC(COCCCC)O.Cl
InChIInChI=1S/C15H33NO2.ClH/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3;/h15,17H,4-14H2,1-3H3;1H
InChIKeyAZZKJLAOJMMXPF-UHFFFAOYSA-N
MW295.89 g/mol
LogP—
Rot. Bonds13

About 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride

2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride (PubChem CID 3040148) has the molecular formula C15H34ClNO2 and a molecular weight of 295.89 g/mol. Its IUPAC name is 1-butoxy-3-(dibutylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride
PubChem CID3040148
Molecular FormulaC15H34ClNO2
Molecular Weight295.89 g/mol
Exact Mass295.23
IUPAC Name1-butoxy-3-(dibutylamino)propan-2-ol;hydrochloride
SMILESCCCCN(CCCC)CC(COCCCC)O.Cl
InChIInChI=1S/C15H33NO2.ClH/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3;/h15,17H,4-14H2,1-3H3;1H
InChIKeyAZZKJLAOJMMXPF-UHFFFAOYSA-N
XLogP—
TPSA32.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity157

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.89
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-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
1,7-Didiethylamino-2,6-dihydroxy-4-oxaheptane
CID 559880
1-(Diethylamino)-3-methoxypropan-2-ol
CID 3726144
2-{[3-(Tert-butoxy)-2-hydroxypropyl](2-hydroxyethyl)amino}ethan-1-ol hydrochloride
CID 18593249
1-Propan-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 15832495
1-(Diethylamino)-3-propoxypropan-2-ol
CID 3448301
1-(Dimethylamino)-3-propoxypropan-2-ol
CID 13147008
2-Hydroxy-3-(2-hydroxyethoxy)-N,N,N-trimethyl-1-propanaminium
CID 22235278

Frequently Asked Questions

What is the IUPAC name of 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride?
The IUPAC name of 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride (CID 3040148) is 1-butoxy-3-(dibutylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride?
The canonical SMILES for 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride is CCCCN(CCCC)CC(COCCCC)O.Cl.
What is the InChIKey of 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride?
The InChIKey is AZZKJLAOJMMXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2.ClH/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3;/h15,17H,4-14H2,1-3H3;1H.
What are the key properties of 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride?
2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride has a molecular weight of 295.89 g/mol, XLogP of not available, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propanol, 1-butoxy-3-(dibutylamino)-, hydrochloride is sourced from PubChem (CID 3040148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).