1-octadecyl-2,5-dihydrotetrazole

C19H40N4 — CID 138558479

IUPAC1-octadecyl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C19H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-21-22-23/h2-19H2,1H3,(H,20,22)
InChIKeySTGGHMNDMINLDG-UHFFFAOYSA-N
MW324.56 g/mol
LogP6.39
Rot. Bonds17

About 1-octadecyl-2,5-dihydrotetrazole

1-octadecyl-2,5-dihydrotetrazole (PubChem CID 138558479) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is 1-octadecyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-octadecyl-2,5-dihydrotetrazole
PubChem CID138558479
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name1-octadecyl-2,5-dihydrotetrazole
SMILESCCCCCCCCCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C19H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-21-22-23/h2-19H2,1H3,(H,20,22)
InChIKeySTGGHMNDMINLDG-UHFFFAOYSA-N
XLogP6.39
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.56
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylhexadecan-3-yl)-2,5-dihydrotetrazole;1-hexadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylhexadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylpentadecan-2-yl)-2,5-dihydrotetrazole;1-pentadecan-2-yl-2,5-dihydrotetrazole;1-tetradecyl-2,5-dihydrotetrazole
CID 159102652
1-octylaziridine
CID 544653
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-tetradecylpyrazolidin-3-one
CID 19868552
1-octyl-4,5-dihydrotriazole
CID 91256370
lithium;dodecane;hydride
CID 173115706
trilithium;hydride;icosane
CID 173415382
CID 161246447
CID 161246447
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of 1-octadecyl-2,5-dihydrotetrazole?
The IUPAC name of 1-octadecyl-2,5-dihydrotetrazole (CID 138558479) is 1-octadecyl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-octadecyl-2,5-dihydrotetrazole?
The canonical SMILES for 1-octadecyl-2,5-dihydrotetrazole is CCCCCCCCCCCCCCCCCCN1CN=NN1.
What is the InChIKey of 1-octadecyl-2,5-dihydrotetrazole?
The InChIKey is STGGHMNDMINLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-21-22-23/h2-19H2,1H3,(H,20,22).
What are the key properties of 1-octadecyl-2,5-dihydrotetrazole?
1-octadecyl-2,5-dihydrotetrazole has a molecular weight of 324.56 g/mol, XLogP of 6.39, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecyl-2,5-dihydrotetrazole is sourced from PubChem (CID 138558479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).