heptadecyl-dimethyl-propylazanium

C22H48N+ — CID 156729751

IUPACheptadecyl-dimethyl-propylazanium
SMILESCCCCCCCCCCCCCCCCC[N+](C)(C)CCC
InChIInChI=1S/C22H48N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2/h5-22H2,1-4H3/q+1
InChIKeyPUARRIHDOWDPRC-UHFFFAOYSA-N
MW326.63 g/mol
LogP7.34
Rot. Bonds18

About heptadecyl-dimethyl-propylazanium

heptadecyl-dimethyl-propylazanium (PubChem CID 156729751) has the molecular formula C22H48N+ and a molecular weight of 326.63 g/mol. Its IUPAC name is heptadecyl-dimethyl-propylazanium.

Molecular Properties

Compound Nameheptadecyl-dimethyl-propylazanium
PubChem CID156729751
Molecular FormulaC22H48N+
Molecular Weight326.63 g/mol
Exact Mass326.38
IUPAC Nameheptadecyl-dimethyl-propylazanium
SMILESCCCCCCCCCCCCCCCCC[N+](C)(C)CCC
InChIInChI=1S/C22H48N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2/h5-22H2,1-4H3/q+1
InChIKeyPUARRIHDOWDPRC-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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
8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
CID 175720257
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of heptadecyl-dimethyl-propylazanium?
The IUPAC name of heptadecyl-dimethyl-propylazanium (CID 156729751) is heptadecyl-dimethyl-propylazanium.
What is the SMILES notation for heptadecyl-dimethyl-propylazanium?
The canonical SMILES for heptadecyl-dimethyl-propylazanium is CCCCCCCCCCCCCCCCC[N+](C)(C)CCC.
What is the InChIKey of heptadecyl-dimethyl-propylazanium?
The InChIKey is PUARRIHDOWDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2/h5-22H2,1-4H3/q+1.
What are the key properties of heptadecyl-dimethyl-propylazanium?
heptadecyl-dimethyl-propylazanium has a molecular weight of 326.63 g/mol, XLogP of 7.34, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl-dimethyl-propylazanium is sourced from PubChem (CID 156729751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).