2-(2,2-dimethylpropyl)-5-pentyltetrazole

C11H22N4 — CID 69028425

IUPAC2-(2,2-dimethylpropyl)-5-pentyltetrazole
SMILESCCCCCc1nnn(CC(C)(C)C)n1
InChIInChI=1S/C11H22N4/c1-5-6-7-8-10-12-14-15(13-10)9-11(2,3)4/h5-9H2,1-4H3
InChIKeyHUPGXYWQERGEEY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.45
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-5-pentyltetrazole

2-(2,2-dimethylpropyl)-5-pentyltetrazole (PubChem CID 69028425) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-pentyltetrazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-pentyltetrazole
PubChem CID69028425
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-(2,2-dimethylpropyl)-5-pentyltetrazole
SMILESCCCCCc1nnn(CC(C)(C)C)n1
InChIInChI=1S/C11H22N4/c1-5-6-7-8-10-12-14-15(13-10)9-11(2,3)4/h5-9H2,1-4H3
InChIKeyHUPGXYWQERGEEY-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-pentyltetrazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-pentyltetrazole (CID 69028425) is 2-(2,2-dimethylpropyl)-5-pentyltetrazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-pentyltetrazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-pentyltetrazole is CCCCCc1nnn(CC(C)(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-pentyltetrazole?
The InChIKey is HUPGXYWQERGEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-6-7-8-10-12-14-15(13-10)9-11(2,3)4/h5-9H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-pentyltetrazole?
2-(2,2-dimethylpropyl)-5-pentyltetrazole has a molecular weight of 210.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-pentyltetrazole is sourced from PubChem (CID 69028425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).