(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene

C10H19N4+ — CID 137093498

IUPAC(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene
SMILESCCCCC/N=N/c1c[nH]c(C)[n+]1C
InChIInChI=1S/C10H18N4/c1-4-5-6-7-12-13-10-8-11-9(2)14(10)3/h8H,4-7H2,1-3H3/p+1/b13-12+
InChIKeyHEWQWRRIJJDQTP-OUKQBFOZSA-O
MW195.29 g/mol
LogP2.42
Rot. Bonds5

About (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene

(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene (PubChem CID 137093498) has the molecular formula C10H19N4+ and a molecular weight of 195.29 g/mol. Its IUPAC name is (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene.

Molecular Properties

Compound Name(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene
PubChem CID137093498
Molecular FormulaC10H19N4+
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC Name(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene
SMILESCCCCC/N=N/c1c[nH]c(C)[n+]1C
InChIInChI=1S/C10H18N4/c1-4-5-6-7-12-13-10-8-11-9(2)14(10)3/h8H,4-7H2,1-3H3/p+1/b13-12+
InChIKeyHEWQWRRIJJDQTP-OUKQBFOZSA-O
XLogP2.42
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene?
The IUPAC name of (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene (CID 137093498) is (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene.
What is the SMILES notation for (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene?
The canonical SMILES for (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene is CCCCC/N=N/c1c[nH]c(C)[n+]1C.
What is the InChIKey of (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene?
The InChIKey is HEWQWRRIJJDQTP-OUKQBFOZSA-O. The full InChI is InChI=1S/C10H18N4/c1-4-5-6-7-12-13-10-8-11-9(2)14(10)3/h8H,4-7H2,1-3H3/p+1/b13-12+.
What are the key properties of (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene?
(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene has a molecular weight of 195.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-imidazol-3-ium-4-yl)-pentyldiazene is sourced from PubChem (CID 137093498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).