1,2-dihydroxypropyl-dodecyl-dimethylazanium

C17H38NO2+ — CID 170558264

IUPAC1,2-dihydroxypropyl-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)C(O)C(C)O
InChIInChI=1S/C17H38NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(3,4)17(20)16(2)19/h16-17,19-20H,5-15H2,1-4H3/q+1
InChIKeyUZYVPZRSVNZWQN-UHFFFAOYSA-N
MW288.50 g/mol
LogP3.68
Rot. Bonds13

About 1,2-dihydroxypropyl-dodecyl-dimethylazanium

1,2-dihydroxypropyl-dodecyl-dimethylazanium (PubChem CID 170558264) has the molecular formula C17H38NO2+ and a molecular weight of 288.50 g/mol. Its IUPAC name is 1,2-dihydroxypropyl-dodecyl-dimethylazanium.

Molecular Properties

Compound Name1,2-dihydroxypropyl-dodecyl-dimethylazanium
PubChem CID170558264
Molecular FormulaC17H38NO2+
Molecular Weight288.50 g/mol
Exact Mass288.29
IUPAC Name1,2-dihydroxypropyl-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)C(O)C(C)O
InChIInChI=1S/C17H38NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(3,4)17(20)16(2)19/h16-17,19-20H,5-15H2,1-4H3/q+1
InChIKeyUZYVPZRSVNZWQN-UHFFFAOYSA-N
XLogP3.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl-dimethyl-octylazanium chloride
CID 18625157
decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
dimethyl-octyl-propan-2-ylazanium chloride
CID 162517722
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
decyl-(3-hydroxytridecan-2-yl)-dimethylazanium
CID 88739553
1-carboxyethyl-dodecyl-dimethylazanium
CID 19028565
dodecyl-dimethyl-(1-sulfopropan-2-yl)azanium
CID 19594164
1-hydroxyethyl-methyl-octadecyl-octylazanium bromide
CID 175221390
dodecyl-bis(1-hydroxyethyl)-methylazanium chloride
CID 87670924
dihexadecyl-bis(1-hydroxyethyl)azanium
CID 87125625

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxypropyl-dodecyl-dimethylazanium?
The IUPAC name of 1,2-dihydroxypropyl-dodecyl-dimethylazanium (CID 170558264) is 1,2-dihydroxypropyl-dodecyl-dimethylazanium.
What is the SMILES notation for 1,2-dihydroxypropyl-dodecyl-dimethylazanium?
The canonical SMILES for 1,2-dihydroxypropyl-dodecyl-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)C(O)C(C)O.
What is the InChIKey of 1,2-dihydroxypropyl-dodecyl-dimethylazanium?
The InChIKey is UZYVPZRSVNZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38NO2/c1-5-6-7-8-9-10-11-12-13-14-15-18(3,4)17(20)16(2)19/h16-17,19-20H,5-15H2,1-4H3/q+1.
What are the key properties of 1,2-dihydroxypropyl-dodecyl-dimethylazanium?
1,2-dihydroxypropyl-dodecyl-dimethylazanium has a molecular weight of 288.50 g/mol, XLogP of 3.68, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxypropyl-dodecyl-dimethylazanium is sourced from PubChem (CID 170558264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).