1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole

C15H32N4 — CID 155688243

IUPAC1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole
SMILESCCCCCCCCCCC(C)(CC)N1C=NNN1
InChIInChI=1S/C15H32N4/c1-4-6-7-8-9-10-11-12-13-15(3,5-2)19-14-16-17-18-19/h14,17-18H,4-13H2,1-3H3
InChIKeyOKEXLUSJPKBUFJ-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.95
Rot. Bonds11

About 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole

1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole (PubChem CID 155688243) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole.

Molecular Properties

Compound Name1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole
PubChem CID155688243
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole
SMILESCCCCCCCCCCC(C)(CC)N1C=NNN1
InChIInChI=1S/C15H32N4/c1-4-6-7-8-9-10-11-12-13-15(3,5-2)19-14-16-17-18-19/h14,17-18H,4-13H2,1-3H3
InChIKeyOKEXLUSJPKBUFJ-UHFFFAOYSA-N
XLogP3.95
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-ethylicosan-3-yl)-2,3-dihydrotetrazole
CID 138558390
1-hexadecyl-2,3-dihydrotetrazole
CID 138558411
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
1-(3-methylnonadecan-3-yl)-2,5-dihydrotetrazole
CID 138558370
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
9-bromo-9-methylhenicosane
CID 155906452
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
3,4,5-trichloro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377204
2-methyl-2-methylsulfanyltetradecane
CID 91802493
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole?
The IUPAC name of 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole (CID 155688243) is 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole.
What is the SMILES notation for 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole?
The canonical SMILES for 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole is CCCCCCCCCCC(C)(CC)N1C=NNN1.
What is the InChIKey of 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole?
The InChIKey is OKEXLUSJPKBUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-4-6-7-8-9-10-11-12-13-15(3,5-2)19-14-16-17-18-19/h14,17-18H,4-13H2,1-3H3.
What are the key properties of 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole?
1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole has a molecular weight of 268.45 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole is sourced from PubChem (CID 155688243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).