4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline

C17H27N6+ — CID 122549887

IUPAC4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2n(CCCCCN)cc[n+]2C)cc1
InChIInChI=1S/C17H27N6/c1-21(2)16-9-7-15(8-10-16)19-20-17-22(3)13-14-23(17)12-6-4-5-11-18/h7-10,13-14H,4-6,11-12,18H2,1-3H3/q+1
InChIKeyKAZZJPYKAUOQFL-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.92
Rot. Bonds8

About 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline

4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline (PubChem CID 122549887) has the molecular formula C17H27N6+ and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline
PubChem CID122549887
Molecular FormulaC17H27N6+
Molecular Weight315.45 g/mol
Exact Mass315.23
IUPAC Name4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2n(CCCCCN)cc[n+]2C)cc1
InChIInChI=1S/C17H27N6/c1-21(2)16-9-7-15(8-10-16)19-20-17-22(3)13-14-23(17)12-6-4-5-11-18/h7-10,13-14H,4-6,11-12,18H2,1-3H3/q+1
InChIKeyKAZZJPYKAUOQFL-UHFFFAOYSA-N
XLogP2.92
TPSA62.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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'}

Analyze 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

CID 140900674
CID 140900674
chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
CID 143053640
N-[4-[4-[[1-[6-[2-[[4-(4-acetamidoanilino)phenyl]diazenyl]-3-methylimidazol-3-ium-1-yl]hexyl]-3-methylimidazol-3-ium-2-yl]diazenyl]anilino]phenyl]acetamide
CID 58671696
N'-[5-(chloroamino)pentyl]-N'-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]pentane-1,5-diamine
CID 122549857
4-[[1-(3-aminopropyl)pyridin-1-ium-4-yl]diazenyl]-N,N-dimethylaniline bromide
CID 122538081
methanesulfonoperoxoate;[1-methyl-3-[5-[3-methyl-2-[(4-methylphenyl)diazenyl]imidazol-3-ium-1-yl]pentyl]imidazol-1-ium-2-yl]-(4-pyrrolidin-1-ylphenyl)diazene
CID 91553214
N'-(3-aminopropyl)-N'-[4-[(1,3-dipentylimidazol-1-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine;tris(2,2,2-trifluoroacetate)
CID 158368004
N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
2-[4-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]piperazin-1-yl]ethanamine
CID 20741728
3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-[3-(trimethylazaniumyl)propyl]anilino]propyl-trimethylazanium
CID 59146689
N,N'-bis[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-N,N'-dimethylbutane-1,4-diamine;methane
CID 158727997
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline (CID 122549887) is 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2n(CCCCCN)cc[n+]2C)cc1.
What is the InChIKey of 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline?
The InChIKey is KAZZJPYKAUOQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N6/c1-21(2)16-9-7-15(8-10-16)19-20-17-22(3)13-14-23(17)12-6-4-5-11-18/h7-10,13-14H,4-6,11-12,18H2,1-3H3/q+1.
What are the key properties of 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline?
4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline has a molecular weight of 315.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 122549887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).