5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole

C8H18N4 — CID 123257935

IUPAC5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole
SMILESCCCCC(C)C1N=NNN1C
InChIInChI=1S/C8H18N4/c1-4-5-6-7(2)8-9-10-11-12(8)3/h7-8H,4-6H2,1-3H3,(H,9,11)
InChIKeyAMVXPLMNLCJXJU-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.96
Rot. Bonds4

About 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole

5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole (PubChem CID 123257935) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole
PubChem CID123257935
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole
SMILESCCCCC(C)C1N=NNN1C
InChIInChI=1S/C8H18N4/c1-4-5-6-7(2)8-9-10-11-12(8)3/h7-8H,4-6H2,1-3H3,(H,9,11)
InChIKeyAMVXPLMNLCJXJU-UHFFFAOYSA-N
XLogP1.96
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-Dimethylbutyl)-1-methyl-2,5-dihydrotetrazole
CID 91455147
1-Methyl-5-octan-4-yl-2,5-dihydrotetrazole
CID 123405639
1-Methyl-5-nonan-5-yl-2,5-dihydrotetrazole
CID 123524641
1-(Cyclohexylmethyl)-5-ethyl-2,5-dihydrotetrazole
CID 163582276
1-Methyl-5-(3-methylbutyl)-2,5-dihydrotetrazole
CID 169959691
1-(5-methylhexyl)-2H-tetrazole-5-thione
CID 115326505

Frequently Asked Questions

What is the IUPAC name of 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole?
The IUPAC name of 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole (CID 123257935) is 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole.
What is the SMILES notation for 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole?
The canonical SMILES for 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole is CCCCC(C)C1N=NNN1C.
What is the InChIKey of 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole?
The InChIKey is AMVXPLMNLCJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-4-5-6-7(2)8-9-10-11-12(8)3/h7-8H,4-6H2,1-3H3,(H,9,11).
What are the key properties of 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole?
5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole has a molecular weight of 170.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-2-yl-1-methyl-2,5-dihydrotetrazole is sourced from PubChem (CID 123257935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).