5-(3-ethyl-3-methylnonyl)-2H-tetrazole

C13H26N4 — CID 146182533

IUPAC5-(3-ethyl-3-methylnonyl)-2H-tetrazole
SMILESCCCCCCC(C)(CC)CCc1nn[nH]n1
InChIInChI=1S/C13H26N4/c1-4-6-7-8-10-13(3,5-2)11-9-12-14-16-17-15-12/h4-11H2,1-3H3,(H,14,15,16,17)
InChIKeyFVXRSGOGQNTKKF-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.52
Rot. Bonds9

About 5-(3-ethyl-3-methylnonyl)-2H-tetrazole

5-(3-ethyl-3-methylnonyl)-2H-tetrazole (PubChem CID 146182533) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-(3-ethyl-3-methylnonyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-ethyl-3-methylnonyl)-2H-tetrazole
PubChem CID146182533
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-(3-ethyl-3-methylnonyl)-2H-tetrazole
SMILESCCCCCCC(C)(CC)CCc1nn[nH]n1
InChIInChI=1S/C13H26N4/c1-4-6-7-8-10-13(3,5-2)11-9-12-14-16-17-15-12/h4-11H2,1-3H3,(H,14,15,16,17)
InChIKeyFVXRSGOGQNTKKF-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-pentyl-2H-tetrazole
CID 139080284
5-(3-methylnonan-3-yloxymethyl)-2H-tetrazole
CID 134508133
5-ethyl-5-methylhentetracontane
CID 123896152
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-[(Z)-heptadec-8-enyl]-2H-tetrazole
CID 11088104
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyldecane
CID 545661
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-3-methylnonyl)-2H-tetrazole?
The IUPAC name of 5-(3-ethyl-3-methylnonyl)-2H-tetrazole (CID 146182533) is 5-(3-ethyl-3-methylnonyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-ethyl-3-methylnonyl)-2H-tetrazole?
The canonical SMILES for 5-(3-ethyl-3-methylnonyl)-2H-tetrazole is CCCCCCC(C)(CC)CCc1nn[nH]n1.
What is the InChIKey of 5-(3-ethyl-3-methylnonyl)-2H-tetrazole?
The InChIKey is FVXRSGOGQNTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-6-7-8-10-13(3,5-2)11-9-12-14-16-17-15-12/h4-11H2,1-3H3,(H,14,15,16,17).
What are the key properties of 5-(3-ethyl-3-methylnonyl)-2H-tetrazole?
5-(3-ethyl-3-methylnonyl)-2H-tetrazole has a molecular weight of 238.38 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-3-methylnonyl)-2H-tetrazole is sourced from PubChem (CID 146182533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).