dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium

C22H46NO2+ — CID 87632538

IUPACdimethyl-propyl-(1-tetradecanoyloxypropyl)azanium
SMILESCCCCCCCCCCCCCC(=O)OC(CC)[N+](C)(C)CCC
InChIInChI=1S/C22H46NO2/c1-6-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21(8-3)23(4,5)20-7-2/h21H,6-20H2,1-5H3/q+1
InChIKeyRADCUFZYVXDPMC-UHFFFAOYSA-N
MW356.62 g/mol
LogP6.45
Rot. Bonds17

About dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium

dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium (PubChem CID 87632538) has the molecular formula C22H46NO2+ and a molecular weight of 356.62 g/mol. Its IUPAC name is dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium.

Molecular Properties

Compound Namedimethyl-propyl-(1-tetradecanoyloxypropyl)azanium
PubChem CID87632538
Molecular FormulaC22H46NO2+
Molecular Weight356.62 g/mol
Exact Mass356.35
IUPAC Namedimethyl-propyl-(1-tetradecanoyloxypropyl)azanium
SMILESCCCCCCCCCCCCCC(=O)OC(CC)[N+](C)(C)CCC
InChIInChI=1S/C22H46NO2/c1-6-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21(8-3)23(4,5)20-7-2/h21H,6-20H2,1-5H3/q+1
InChIKeyRADCUFZYVXDPMC-UHFFFAOYSA-N
XLogP6.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
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

butyl-dimethyl-(1-tetradecanoyloxypropyl)azanium
CID 87631957
decyl-dimethyl-(1-tetradecanoyloxypropyl)azanium iodide
CID 87632984
1-hexadecanoyloxypropyl(trimethyl)azanium iodide
CID 87633326
dimethyl-(1-octadecanoyloxyethyl)-octadecylazanium
CID 87530867
(1-decanoyloxy-2-oxopropyl) decanoate
CID 87879463
1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl hexadecanoate
CID 20514368
1-hydroxypropyl icosanoate
CID 155673375
trimethyl(1-tetradecanoyloxyethyl)azanium iodide
CID 88793400
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
dihydroxymethyl nonanoate
CID 118275765
propan-2-yl undecanoate
CID 3016538

Frequently Asked Questions

What is the IUPAC name of dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium?
The IUPAC name of dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium (CID 87632538) is dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium.
What is the SMILES notation for dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium?
The canonical SMILES for dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium is CCCCCCCCCCCCCC(=O)OC(CC)[N+](C)(C)CCC.
What is the InChIKey of dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium?
The InChIKey is RADCUFZYVXDPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46NO2/c1-6-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21(8-3)23(4,5)20-7-2/h21H,6-20H2,1-5H3/q+1.
What are the key properties of dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium?
dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium has a molecular weight of 356.62 g/mol, XLogP of 6.45, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propyl-(1-tetradecanoyloxypropyl)azanium is sourced from PubChem (CID 87632538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).