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

C102H216N24 — CID 159102652

IUPAC1-(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
SMILESCCCCCCCCCCCCCC(C)(C)N1CN=NN1.CCCCCCCCCCCCCC(C)(CC)N1CN=NN1.CCCCCCCCCCCCCC(C)N1CN=NN1.CCCCCCCCCCCCCC(CC)(CC)N1CN=NN1.CCCCCCCCCCCCCC(CC)N1CN=NN1.CCCCCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C19H40N4.C18H38N4.2C17H36N4.C16H34N4.C15H32N4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(5-2,6-3)23-18-20-21-22-23;1-4-6-7-8-9-10-11-12-13-14-15-16-18(3,5-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,3)21-16-18-19-20-21;1-3-5-6-7-8-9-10-11-12-13-14-15-17(4-2)21-16-18-19-20-21;1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-15-17-18-19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-17-18-19/h4-18H2,1-3H3,(H,20,22);4-17H2,1-3H3,(H,19,21);4-16H2,1-3H3,(H,18,20);17H,3-16H2,1-2H3,(H,18,20);16H,3-15H2,1-2H3,(H,17,19);2-15H2,1H3,(H,16,18)
InChIKeyKDMBCGOCRGIEPL-UHFFFAOYSA-N
MW1779.02 g/mol
LogP33.67
Rot. Bonds82

About 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

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 (PubChem CID 159102652) has the molecular formula C102H216N24 and a molecular weight of 1779.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159102652
Molecular FormulaC102H216N24
Molecular Weight1779.02 g/mol
Exact Mass1777.76
IUPAC Name1-(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
SMILESCCCCCCCCCCCCCC(C)(C)N1CN=NN1.CCCCCCCCCCCCCC(C)(CC)N1CN=NN1.CCCCCCCCCCCCCC(C)N1CN=NN1.CCCCCCCCCCCCCC(CC)(CC)N1CN=NN1.CCCCCCCCCCCCCC(CC)N1CN=NN1.CCCCCCCCCCCCCCN1CN=NN1
InChIInChI=1S/C19H40N4.C18H38N4.2C17H36N4.C16H34N4.C15H32N4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(5-2,6-3)23-18-20-21-22-23;1-4-6-7-8-9-10-11-12-13-14-15-16-18(3,5-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,3)21-16-18-19-20-21;1-3-5-6-7-8-9-10-11-12-13-14-15-17(4-2)21-16-18-19-20-21;1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-15-17-18-19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-17-18-19/h4-18H2,1-3H3,(H,20,22);4-17H2,1-3H3,(H,19,21);4-16H2,1-3H3,(H,18,20);17H,3-16H2,1-2H3,(H,18,20);16H,3-15H2,1-2H3,(H,17,19);2-15H2,1H3,(H,16,18)
InChIKeyKDMBCGOCRGIEPL-UHFFFAOYSA-N
XLogP33.67
TPSA239.94 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds82
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.02
LogP ≤ 533.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid
CID 159447276
1-(3-methylnonadecan-3-yl)-2,5-dihydrotetrazole
CID 138558370
2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole
CID 157358496
1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole
CID 161142516
3-(3-ethylnonadecan-3-yl)-2,4-dihydrotriazole
CID 162044589
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858543
1-heptan-2-ylpiperazine
CID 61464712
1-dodecan-2-ylpyrrolidine
CID 70871228
3-nonan-2-yl-1,3-oxazetidine
CID 134510422
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
3-chloro-4-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377759

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCC(C)(C)N1CN=NN1.CCCCCCCCCCCCCC(C)(CC)N1CN=NN1.CCCCCCCCCCCCCC(C)N1CN=NN1.CCCCCCCCCCCCCC(CC)(CC)N1CN=NN1.CCCCCCCCCCCCCC(CC)N1CN=NN1.CCCCCCCCCCCCCCN1CN=NN1.
What is the InChIKey of 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?
The InChIKey is KDMBCGOCRGIEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4.C18H38N4.2C17H36N4.C16H34N4.C15H32N4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(5-2,6-3)23-18-20-21-22-23;1-4-6-7-8-9-10-11-12-13-14-15-16-18(3,5-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,3)21-16-18-19-20-21;1-3-5-6-7-8-9-10-11-12-13-14-15-17(4-2)21-16-18-19-20-21;1-3-4-5-6-7-8-9-10-11-12-13-14-16(2)20-15-17-18-19-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-17-18-19/h4-18H2,1-3H3,(H,20,22);4-17H2,1-3H3,(H,19,21);4-16H2,1-3H3,(H,18,20);17H,3-16H2,1-2H3,(H,18,20);16H,3-15H2,1-2H3,(H,17,19);2-15H2,1H3,(H,16,18).
What are the key properties of 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?
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 has a molecular weight of 1779.02 g/mol, XLogP of 33.67, 82 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159102652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).