5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium

C10H19N4+ — CID 639035

IUPAC5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium
SMILESCn1nn[n+](C)c1C/C=C/C(C)(C)C
InChIInChI=1S/C10H19N4/c1-10(2,3)8-6-7-9-13(4)11-12-14(9)5/h6,8H,7H2,1-5H3/q+1/b8-6+
InChIKeyJATLTEHLMNHJEJ-SOFGYWHQSA-N
MW195.29 g/mol
LogP0.78
Rot. Bonds2

About 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium

5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium (PubChem CID 639035) has the molecular formula C10H19N4+ and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium.

Molecular Properties

Compound Name5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium
PubChem CID639035
Molecular FormulaC10H19N4+
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC Name5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium
SMILESCn1nn[n+](C)c1C/C=C/C(C)(C)C
InChIInChI=1S/C10H19N4/c1-10(2,3)8-6-7-9-13(4)11-12-14(9)5/h6,8H,7H2,1-5H3/q+1/b8-6+
InChIKeyJATLTEHLMNHJEJ-SOFGYWHQSA-N
XLogP0.78
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-allyl-1,4-dimethyl-1H-tetrazol-4-ium
CID 639034
1H-tetrazolium, 5-[(2E)-2-butenyl]-1,4-dimethyl-
CID 639037
1-Methyl-5-(prop-2-en-1-yl)-1h-1,2,3,4-tetrazole
CID 53975158
5-[(E)-but-2-enyl]-1-methyltetrazole
CID 56610541
5-Cyclohepta-2,4,6-trien-1-yl-1-methyltetrazole
CID 135266073
5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methyltetrazole
CID 143618645
5-Cyclohexa-2,4-dien-1-yl-1-methyltetrazole
CID 175705469
5-[(E)-2,3-dimethylbut-1-enyl]-1-methyltetrazole;ethane
CID 177189543
5-[(E)-but-1-enyl]-1,4-dimethyltetrazol-1-ium
CID 93993027

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium?
The IUPAC name of 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium (CID 639035) is 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium.
What is the SMILES notation for 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium?
The canonical SMILES for 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium is Cn1nn[n+](C)c1C/C=C/C(C)(C)C.
What is the InChIKey of 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium?
The InChIKey is JATLTEHLMNHJEJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19N4/c1-10(2,3)8-6-7-9-13(4)11-12-14(9)5/h6,8H,7H2,1-5H3/q+1/b8-6+.
What are the key properties of 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium?
5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium has a molecular weight of 195.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4,4-dimethylpent-2-enyl]-1,4-dimethyltetrazol-1-ium is sourced from PubChem (CID 639035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).