2-(2,2-dimethylpropyl)-5-hexyltetrazole

C12H24N4 — CID 69030471

IUPAC2-(2,2-dimethylpropyl)-5-hexyltetrazole
SMILESCCCCCCc1nnn(CC(C)(C)C)n1
InChIInChI=1S/C12H24N4/c1-5-6-7-8-9-11-13-15-16(14-11)10-12(2,3)4/h5-10H2,1-4H3
InChIKeyFFRZAABCTSKRKT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.84
Rot. Bonds6

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

2-(2,2-dimethylpropyl)-5-hexyltetrazole (PubChem CID 69030471) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-hexyltetrazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-hexyltetrazole
PubChem CID69030471
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-(2,2-dimethylpropyl)-5-hexyltetrazole
SMILESCCCCCCc1nnn(CC(C)(C)C)n1
InChIInChI=1S/C12H24N4/c1-5-6-7-8-9-11-13-15-16(14-11)10-12(2,3)4/h5-10H2,1-4H3
InChIKeyFFRZAABCTSKRKT-UHFFFAOYSA-N
XLogP2.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.84
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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Related Compounds

5-hexyl-2-(trifluoromethyl)tetrazole
CID 69032079
2-butyl-5-propyltetrazole
CID 69034353
3-(5-decyltetrazol-2-yl)propyl-triethoxysilane
CID 142547971
2-fluoro-5-pentyltetrazole
CID 69031362
5-pentyltetrazole-2-carbonitrile
CID 69030724
2-(5-dodecyltetrazol-2-yl)-2-methylpropanoate
CID 21469547
5-butyl-2-methyltetrazole;ethane
CID 144800630
tributyl-[5-[6-(2-tributylstannyltetrazol-5-yl)hexyl]tetrazol-2-yl]stannane
CID 177385482
2-(5-dodecyltetrazol-2-yl)heptanoic acid
CID 21469507
2-nonan-2-yl-5-propyltetrazole
CID 177419840
5-(2-methylpropyl)-2-pentyltetrazole
CID 69030180
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-hexyltetrazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-hexyltetrazole (CID 69030471) is 2-(2,2-dimethylpropyl)-5-hexyltetrazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-hexyltetrazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-hexyltetrazole is CCCCCCc1nnn(CC(C)(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-hexyltetrazole?
The InChIKey is FFRZAABCTSKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-6-7-8-9-11-13-15-16(14-11)10-12(2,3)4/h5-10H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-hexyltetrazole?
2-(2,2-dimethylpropyl)-5-hexyltetrazole has a molecular weight of 224.35 g/mol, XLogP of 2.84, 6 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-hexyltetrazole is sourced from PubChem (CID 69030471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).