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

C9H18N6 — CID 166858805

IUPAC4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCN1CCN=C1N=[N+]=[N-]
InChIInChI=1S/C9H18N6/c1-14(2)6-3-4-7-15-8-5-11-9(15)12-13-10/h3-8H2,1-2H3
InChIKeyHKZREAVZNLKKSW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.31
Rot. Bonds5

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

4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 166858805) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID166858805
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCN1CCN=C1N=[N+]=[N-]
InChIInChI=1S/C9H18N6/c1-14(2)6-3-4-7-15-8-5-11-9(15)12-13-10/h3-8H2,1-2H3
InChIKeyHKZREAVZNLKKSW-UHFFFAOYSA-N
XLogP1.31
TPSA67.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine (CID 166858805) is 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine is CN(C)CCCCN1CCN=C1N=[N+]=[N-].
What is the InChIKey of 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is HKZREAVZNLKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-14(2)6-3-4-7-15-8-5-11-9(15)12-13-10/h3-8H2,1-2H3.
What are the key properties of 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine?
4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-4,5-dihydroimidazol-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 166858805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).