heptatriacontan-19-ylazanium

C37H78N+ — CID 22345110

IUPACheptatriacontan-19-ylazanium
SMILESCCCCCCCCCCCCCCCCCCC([NH3+])CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3/p+1
InChIKeyCNPPBOUNRFIDJA-UHFFFAOYSA-O
MW537.04 g/mol
LogP12.90
Rot. Bonds34

About heptatriacontan-19-ylazanium

heptatriacontan-19-ylazanium (PubChem CID 22345110) has the molecular formula C37H78N+ and a molecular weight of 537.04 g/mol. Its IUPAC name is heptatriacontan-19-ylazanium.

Molecular Properties

Compound Nameheptatriacontan-19-ylazanium
PubChem CID22345110
Molecular FormulaC37H78N+
Molecular Weight537.04 g/mol
Exact Mass536.61
IUPAC Nameheptatriacontan-19-ylazanium
SMILESCCCCCCCCCCCCCCCCCCC([NH3+])CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3/p+1
InChIKeyCNPPBOUNRFIDJA-UHFFFAOYSA-O
XLogP12.90
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.04
LogP ≤ 512.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

henicosan-11-ylazanium
CID 22645794
[(3R)-nonan-3-yl]azanium
CID 140886283
decan-3-ylazanium chloride
CID 88625887
1-hydroxytricosan-11-ylazanium iodide
CID 89439401
dodecyl(dimethyl)azanium;pentacosan-13-ylazanium;dichloride
CID 142632996
2-hydroxypropanoate;tritriacontan-17-ylazanium
CID 139671154
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
3-azaniumylnonanoate
CID 78263534
[(2S)-heptan-2-yl]azanium
CID 6999049
17-pentylhexatriacontane
CID 91327833
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023

Frequently Asked Questions

What is the IUPAC name of heptatriacontan-19-ylazanium?
The IUPAC name of heptatriacontan-19-ylazanium (CID 22345110) is heptatriacontan-19-ylazanium.
What is the SMILES notation for heptatriacontan-19-ylazanium?
The canonical SMILES for heptatriacontan-19-ylazanium is CCCCCCCCCCCCCCCCCCC([NH3+])CCCCCCCCCCCCCCCCCC.
What is the InChIKey of heptatriacontan-19-ylazanium?
The InChIKey is CNPPBOUNRFIDJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H77N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3/p+1.
What are the key properties of heptatriacontan-19-ylazanium?
heptatriacontan-19-ylazanium has a molecular weight of 537.04 g/mol, XLogP of 12.90, 34 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptatriacontan-19-ylazanium is sourced from PubChem (CID 22345110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).