6-azidohexyl(trimethyl)azanium

C9H21N4+ — CID 152532563

IUPAC6-azidohexyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCCN=[N+]=[N-]
InChIInChI=1S/C9H21N4/c1-13(2,3)9-7-5-4-6-8-11-12-10/h4-9H2,1-3H3/q+1
InChIKeyYJVGYJQCVHYVGU-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.56
Rot. Bonds7

About 6-azidohexyl(trimethyl)azanium

6-azidohexyl(trimethyl)azanium (PubChem CID 152532563) has the molecular formula C9H21N4+ and a molecular weight of 185.29 g/mol. Its IUPAC name is 6-azidohexyl(trimethyl)azanium.

Molecular Properties

Compound Name6-azidohexyl(trimethyl)azanium
PubChem CID152532563
Molecular FormulaC9H21N4+
Molecular Weight185.29 g/mol
Exact Mass185.18
IUPAC Name6-azidohexyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCCN=[N+]=[N-]
InChIInChI=1S/C9H21N4/c1-13(2,3)9-7-5-4-6-8-11-12-10/h4-9H2,1-3H3/q+1
InChIKeyYJVGYJQCVHYVGU-UHFFFAOYSA-N
XLogP2.56
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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_2', 'substructure': 'N/A'}

Analyze 6-azidohexyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-azidohexyl(trimethyl)azanium?
The IUPAC name of 6-azidohexyl(trimethyl)azanium (CID 152532563) is 6-azidohexyl(trimethyl)azanium.
What is the SMILES notation for 6-azidohexyl(trimethyl)azanium?
The canonical SMILES for 6-azidohexyl(trimethyl)azanium is C[N+](C)(C)CCCCCCN=[N+]=[N-].
What is the InChIKey of 6-azidohexyl(trimethyl)azanium?
The InChIKey is YJVGYJQCVHYVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N4/c1-13(2,3)9-7-5-4-6-8-11-12-10/h4-9H2,1-3H3/q+1.
What are the key properties of 6-azidohexyl(trimethyl)azanium?
6-azidohexyl(trimethyl)azanium has a molecular weight of 185.29 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azidohexyl(trimethyl)azanium is sourced from PubChem (CID 152532563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).