[6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium

C15H33N2O2+ — CID 176700220

IUPAC[6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium
SMILESCCCCNC(=O)CCCCC[N+](C)(C)CCCO
InChIInChI=1S/C15H32N2O2/c1-4-5-11-16-15(19)10-7-6-8-12-17(2,3)13-9-14-18/h18H,4-14H2,1-3H3/p+1
InChIKeyYIWLFUGTCVGPDC-UHFFFAOYSA-O
MW273.44 g/mol
LogP1.92
Rot. Bonds12

About [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium

[6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium (PubChem CID 176700220) has the molecular formula C15H33N2O2+ and a molecular weight of 273.44 g/mol. Its IUPAC name is [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium.

Molecular Properties

Compound Name[6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium
PubChem CID176700220
Molecular FormulaC15H33N2O2+
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC Name[6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium
SMILESCCCCNC(=O)CCCCC[N+](C)(C)CCCO
InChIInChI=1S/C15H32N2O2/c1-4-5-11-16-15(19)10-7-6-8-12-17(2,3)13-9-14-18/h18H,4-14H2,1-3H3/p+1
InChIKeyYIWLFUGTCVGPDC-UHFFFAOYSA-O
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium
CID 22757067
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 141035948
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
tris(2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium);phosphate
CID 71437403
4-hydroxybutyl-methyl-bis[3-(octadecanoylamino)propyl]azanium chloride
CID 87792486
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
N-(3-hydroxypropyl)docosanamide
CID 87200048
dimethyl-octadecyl-[4-oxo-4-[3-(trimethylazaniumyl)propylamino]butyl]azanium
CID 139878279
3-(docos-13-enoylamino)propyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 172878498
sodium;hydride;2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium;phosphoric acid
CID 174778994
2-hydroxyethyl-dimethyl-[3-(octadec-9-enoylamino)propyl]azanium chloride
CID 173166398

Frequently Asked Questions

What is the IUPAC name of [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium?
The IUPAC name of [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium (CID 176700220) is [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium.
What is the SMILES notation for [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium?
The canonical SMILES for [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium is CCCCNC(=O)CCCCC[N+](C)(C)CCCO.
What is the InChIKey of [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium?
The InChIKey is YIWLFUGTCVGPDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H32N2O2/c1-4-5-11-16-15(19)10-7-6-8-12-17(2,3)13-9-14-18/h18H,4-14H2,1-3H3/p+1.
What are the key properties of [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium?
[6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium has a molecular weight of 273.44 g/mol, XLogP of 1.92, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylamino)-6-oxohexyl]-(3-hydroxypropyl)-dimethylazanium is sourced from PubChem (CID 176700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).