octadecyltetrazetidine

C18H40N4 — CID 150793790

IUPACoctadecyltetrazetidine
SMILESCCCCCCCCCCCCCCCCCCN1NNN1
InChIInChI=1S/C18H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20-19-21-22/h19-21H,2-18H2,1H3
InChIKeyKEKHLFPPCNKLGI-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.99
Rot. Bonds17

About octadecyltetrazetidine

octadecyltetrazetidine (PubChem CID 150793790) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is octadecyltetrazetidine.

Molecular Properties

Compound Nameoctadecyltetrazetidine
PubChem CID150793790
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC Nameoctadecyltetrazetidine
SMILESCCCCCCCCCCCCCCCCCCN1NNN1
InChIInChI=1S/C18H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20-19-21-22/h19-21H,2-18H2,1H3
InChIKeyKEKHLFPPCNKLGI-UHFFFAOYSA-N
XLogP4.99
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of octadecyltetrazetidine?
The IUPAC name of octadecyltetrazetidine (CID 150793790) is octadecyltetrazetidine.
What is the SMILES notation for octadecyltetrazetidine?
The canonical SMILES for octadecyltetrazetidine is CCCCCCCCCCCCCCCCCCN1NNN1.
What is the InChIKey of octadecyltetrazetidine?
The InChIKey is KEKHLFPPCNKLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20-19-21-22/h19-21H,2-18H2,1H3.
What are the key properties of octadecyltetrazetidine?
octadecyltetrazetidine has a molecular weight of 312.55 g/mol, XLogP of 4.99, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyltetrazetidine is sourced from PubChem (CID 150793790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).