1-hexyl-3-methyl-2H-imidazole;nitric acid

C10H21N3O3 — CID 170919718

IUPAC1-hexyl-3-methyl-2H-imidazole;nitric acid
SMILESCCCCCCN1C=CN(C)C1.O=[N+]([O-])O
InChIInChI=1S/C10H20N2.HNO3/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3)4/h8-9H,3-7,10H2,1-2H3;(H,2,3,4)
InChIKeyNAOWDMXORJEQFW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds5

About 1-hexyl-3-methyl-2H-imidazole;nitric acid

1-hexyl-3-methyl-2H-imidazole;nitric acid (PubChem CID 170919718) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-hexyl-3-methyl-2H-imidazole;nitric acid.

Molecular Properties

Compound Name1-hexyl-3-methyl-2H-imidazole;nitric acid
PubChem CID170919718
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name1-hexyl-3-methyl-2H-imidazole;nitric acid
SMILESCCCCCCN1C=CN(C)C1.O=[N+]([O-])O
InChIInChI=1S/C10H20N2.HNO3/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3)4/h8-9H,3-7,10H2,1-2H3;(H,2,3,4)
InChIKeyNAOWDMXORJEQFW-UHFFFAOYSA-N
XLogP1.90
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-butyl-3-methyl-2H-imidazole;lanthanum(3+);trinitrate
CID 174692909
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
1-methyl-3-octyl-2H-imidazole;bis(trifluoromethanesulfonic acid)
CID 175946209
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methyl-2H-imidazole;nitric acid?
The IUPAC name of 1-hexyl-3-methyl-2H-imidazole;nitric acid (CID 170919718) is 1-hexyl-3-methyl-2H-imidazole;nitric acid.
What is the SMILES notation for 1-hexyl-3-methyl-2H-imidazole;nitric acid?
The canonical SMILES for 1-hexyl-3-methyl-2H-imidazole;nitric acid is CCCCCCN1C=CN(C)C1.O=[N+]([O-])O.
What is the InChIKey of 1-hexyl-3-methyl-2H-imidazole;nitric acid?
The InChIKey is NAOWDMXORJEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.HNO3/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3)4/h8-9H,3-7,10H2,1-2H3;(H,2,3,4).
What are the key properties of 1-hexyl-3-methyl-2H-imidazole;nitric acid?
1-hexyl-3-methyl-2H-imidazole;nitric acid has a molecular weight of 231.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methyl-2H-imidazole;nitric acid is sourced from PubChem (CID 170919718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).