3-aminopropyl-heptadecyl-dimethylazanium

C22H49N2+ — CID 142713048

IUPAC3-aminopropyl-heptadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN
InChIInChI=1S/C22H49N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)22-19-20-23/h4-23H2,1-3H3/q+1
InChIKeyRCGIRXRORVINDZ-UHFFFAOYSA-N
MW341.65 g/mol
LogP6.28
Rot. Bonds19

About 3-aminopropyl-heptadecyl-dimethylazanium

3-aminopropyl-heptadecyl-dimethylazanium (PubChem CID 142713048) has the molecular formula C22H49N2+ and a molecular weight of 341.65 g/mol. Its IUPAC name is 3-aminopropyl-heptadecyl-dimethylazanium.

Molecular Properties

Compound Name3-aminopropyl-heptadecyl-dimethylazanium
PubChem CID142713048
Molecular FormulaC22H49N2+
Molecular Weight341.65 g/mol
Exact Mass341.39
IUPAC Name3-aminopropyl-heptadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN
InChIInChI=1S/C22H49N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)22-19-20-23/h4-23H2,1-3H3/q+1
InChIKeyRCGIRXRORVINDZ-UHFFFAOYSA-N
XLogP6.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.65
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-heptadecyl-dimethylazanium?
The IUPAC name of 3-aminopropyl-heptadecyl-dimethylazanium (CID 142713048) is 3-aminopropyl-heptadecyl-dimethylazanium.
What is the SMILES notation for 3-aminopropyl-heptadecyl-dimethylazanium?
The canonical SMILES for 3-aminopropyl-heptadecyl-dimethylazanium is CCCCCCCCCCCCCCCCC[N+](C)(C)CCCN.
What is the InChIKey of 3-aminopropyl-heptadecyl-dimethylazanium?
The InChIKey is RCGIRXRORVINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2,3)22-19-20-23/h4-23H2,1-3H3/q+1.
What are the key properties of 3-aminopropyl-heptadecyl-dimethylazanium?
3-aminopropyl-heptadecyl-dimethylazanium has a molecular weight of 341.65 g/mol, XLogP of 6.28, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-heptadecyl-dimethylazanium is sourced from PubChem (CID 142713048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).