5-ethyl-5-hexan-2-yltetrazole

C9H18N4 — CID 90996051

IUPAC5-ethyl-5-hexan-2-yltetrazole
SMILESCCCCC(C)C1(CC)N=NN=N1
InChIInChI=1S/C9H18N4/c1-4-6-7-8(3)9(5-2)10-12-13-11-9/h8H,4-7H2,1-3H3
InChIKeyJDUSGWHWRXPDQM-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.75
Rot. Bonds5

About 5-ethyl-5-hexan-2-yltetrazole

5-ethyl-5-hexan-2-yltetrazole (PubChem CID 90996051) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-ethyl-5-hexan-2-yltetrazole.

Molecular Properties

Compound Name5-ethyl-5-hexan-2-yltetrazole
PubChem CID90996051
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-ethyl-5-hexan-2-yltetrazole
SMILESCCCCC(C)C1(CC)N=NN=N1
InChIInChI=1S/C9H18N4/c1-4-6-7-8(3)9(5-2)10-12-13-11-9/h8H,4-7H2,1-3H3
InChIKeyJDUSGWHWRXPDQM-UHFFFAOYSA-N
XLogP3.75
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-5-propan-2-yltetrazole
CID 69385429
5-propan-2-yl-5-propyltetrazole
CID 69386081
1-hexan-2-ylcyclopropan-1-ol
CID 126975313
tributyl(methyl)phosphanium
CID 2760115
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
lithium hexan-2-olate
CID 141423009
2,3-dimethylheptane;ethane
CID 156648444
dibutyl-ethyl-methylphosphanium
CID 58444360
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
hexane;2-methylpentane
CID 19835603

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-hexan-2-yltetrazole?
The IUPAC name of 5-ethyl-5-hexan-2-yltetrazole (CID 90996051) is 5-ethyl-5-hexan-2-yltetrazole.
What is the SMILES notation for 5-ethyl-5-hexan-2-yltetrazole?
The canonical SMILES for 5-ethyl-5-hexan-2-yltetrazole is CCCCC(C)C1(CC)N=NN=N1.
What is the InChIKey of 5-ethyl-5-hexan-2-yltetrazole?
The InChIKey is JDUSGWHWRXPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-6-7-8(3)9(5-2)10-12-13-11-9/h8H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-5-hexan-2-yltetrazole?
5-ethyl-5-hexan-2-yltetrazole has a molecular weight of 182.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-hexan-2-yltetrazole is sourced from PubChem (CID 90996051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).