4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine

C10H21N6+ — CID 168819938

IUPAC4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCN1CC[N+](C)=C1N=[N+]=[N-]
InChIInChI=1S/C10H21N6/c1-14(2)6-4-5-7-16-9-8-15(3)10(16)12-13-11/h4-9H2,1-3H3/q+1
InChIKeyWVFMEVSUVRNVFN-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.95
Rot. Bonds5

About 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine

4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 168819938) has the molecular formula C10H21N6+ and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID168819938
Molecular FormulaC10H21N6+
Molecular Weight225.32 g/mol
Exact Mass225.18
IUPAC Name4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCN1CC[N+](C)=C1N=[N+]=[N-]
InChIInChI=1S/C10H21N6/c1-14(2)6-4-5-7-16-9-8-15(3)10(16)12-13-11/h4-9H2,1-3H3/q+1
InChIKeyWVFMEVSUVRNVFN-UHFFFAOYSA-N
XLogP0.95
TPSA58.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine (CID 168819938) is 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine is CN(C)CCCCN1CC[N+](C)=C1N=[N+]=[N-].
What is the InChIKey of 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is WVFMEVSUVRNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N6/c1-14(2)6-4-5-7-16-9-8-15(3)10(16)12-13-11/h4-9H2,1-3H3/q+1.
What are the key properties of 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine?
4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 225.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 168819938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).