2-tert-butyl-5-hexan-3-yltetrazole

C11H22N4 — CID 170234498

IUPAC2-tert-butyl-5-hexan-3-yltetrazole
SMILESCCCC(CC)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C11H22N4/c1-6-8-9(7-2)10-12-14-15(13-10)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyNMUHABRTQVYJTJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.72
Rot. Bonds4

About 2-tert-butyl-5-hexan-3-yltetrazole

2-tert-butyl-5-hexan-3-yltetrazole (PubChem CID 170234498) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-tert-butyl-5-hexan-3-yltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-hexan-3-yltetrazole
PubChem CID170234498
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-tert-butyl-5-hexan-3-yltetrazole
SMILESCCCC(CC)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C11H22N4/c1-6-8-9(7-2)10-12-14-15(13-10)11(3,4)5/h9H,6-8H2,1-5H3
InChIKeyNMUHABRTQVYJTJ-UHFFFAOYSA-N
XLogP2.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5H-Tetrazole, 5-(1-propylbutyl)-
CID 3069938
5-Heptan-4-yl-2-methyltetrazole
CID 13374828
5-(Cyclopentylmethyl)-2-methyltetrazole
CID 18922473
5-(2,4-dimethylpentyl)-2H-tetrazole
CID 57222565
2-Tert-butyl-5-cyclopentyltetrazole
CID 58431044
5-Cyclopentyl-2-methyltetrazole
CID 58431066
2-Methyl-5-(6-methylheptyl)tetrazole
CID 59458792
2-Tert-butyl-5-propan-2-yltetrazole
CID 59533537
2-Tert-butyl-5-pentyltetrazole
CID 69030802
2-Tert-butyl-5-hexyltetrazole
CID 69031401
2-Tert-butyl-5-propyltetrazole
CID 69031416
5-Butyl-2-tert-butyltetrazole
CID 69032154

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-hexan-3-yltetrazole?
The IUPAC name of 2-tert-butyl-5-hexan-3-yltetrazole (CID 170234498) is 2-tert-butyl-5-hexan-3-yltetrazole.
What is the SMILES notation for 2-tert-butyl-5-hexan-3-yltetrazole?
The canonical SMILES for 2-tert-butyl-5-hexan-3-yltetrazole is CCCC(CC)c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-hexan-3-yltetrazole?
The InChIKey is NMUHABRTQVYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-8-9(7-2)10-12-14-15(13-10)11(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-tert-butyl-5-hexan-3-yltetrazole?
2-tert-butyl-5-hexan-3-yltetrazole has a molecular weight of 210.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-hexan-3-yltetrazole is sourced from PubChem (CID 170234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).