[butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium

C14H31N3+2 — CID 144851108

IUPAC[butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium
SMILESC=CN(/C=[N+](\C)CCCCC[NH2+]C)CCCC
InChIInChI=1S/C14H30N3/c1-5-7-13-17(6-2)14-16(4)12-10-8-9-11-15-3/h6,14-15H,2,5,7-13H2,1,3-4H3/q+1/p+1
InChIKeyIKUPOKUSXGUHKY-UHFFFAOYSA-O
MW241.42 g/mol
LogP1.27
Rot. Bonds11

About [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium

[butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium (PubChem CID 144851108) has the molecular formula C14H31N3+2 and a molecular weight of 241.42 g/mol. Its IUPAC name is [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium.

Molecular Properties

Compound Name[butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium
PubChem CID144851108
Molecular FormulaC14H31N3+2
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name[butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium
SMILESC=CN(/C=[N+](\C)CCCCC[NH2+]C)CCCC
InChIInChI=1S/C14H30N3/c1-5-7-13-17(6-2)14-16(4)12-10-8-9-11-15-3/h6,14-15H,2,5,7-13H2,1,3-4H3/q+1/p+1
InChIKeyIKUPOKUSXGUHKY-UHFFFAOYSA-O
XLogP1.27
TPSA22.86 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium 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

1-pentyl-1H-imidazol-1-ium hexafluorophosphate
CID 18629775
N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide
CID 143513162
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
1-decyl-1H-imidazol-1-ium
CID 17841393
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709
1-pentyl-1H-imidazol-1-ium tetrafluoroborate
CID 22287813
1-pentyl-1H-imidazol-1-ium
CID 22342452

Frequently Asked Questions

What is the IUPAC name of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium?
The IUPAC name of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium (CID 144851108) is [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium.
What is the SMILES notation for [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium?
The canonical SMILES for [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium is C=CN(/C=[N+](\C)CCCCC[NH2+]C)CCCC.
What is the InChIKey of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium?
The InChIKey is IKUPOKUSXGUHKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H30N3/c1-5-7-13-17(6-2)14-16(4)12-10-8-9-11-15-3/h6,14-15H,2,5,7-13H2,1,3-4H3/q+1/p+1.
What are the key properties of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium?
[butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium has a molecular weight of 241.42 g/mol, XLogP of 1.27, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(ethenyl)amino]methylidene-methyl-[5-(methylazaniumyl)pentyl]azanium is sourced from PubChem (CID 144851108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).