butyl-ethenyl-(methylaminomethylidene)azanium

C8H17N2+ — CID 145156153

IUPACbutyl-ethenyl-(methylaminomethylidene)azanium
SMILESC=C/[N+](=C\NC)CCCC
InChIInChI=1S/C8H16N2/c1-4-6-7-10(5-2)8-9-3/h5,8H,2,4,6-7H2,1,3H3/p+1
InChIKeyCAGWIJJPYWEXFB-UHFFFAOYSA-O
MW141.24 g/mol
LogP1.19
Rot. Bonds5

About butyl-ethenyl-(methylaminomethylidene)azanium

butyl-ethenyl-(methylaminomethylidene)azanium (PubChem CID 145156153) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is butyl-ethenyl-(methylaminomethylidene)azanium.

Molecular Properties

Compound Namebutyl-ethenyl-(methylaminomethylidene)azanium
PubChem CID145156153
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Namebutyl-ethenyl-(methylaminomethylidene)azanium
SMILESC=C/[N+](=C\NC)CCCC
InChIInChI=1S/C8H16N2/c1-4-6-7-10(5-2)8-9-3/h5,8H,2,4,6-7H2,1,3H3/p+1
InChIKeyCAGWIJJPYWEXFB-UHFFFAOYSA-O
XLogP1.19
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709
1-pentyl-1H-imidazol-1-ium
CID 22342452
1,3-dimethyl-1H-imidazole-1,3-diium
CID 22947747
1-butyl-1H-imidazol-1-ium fluoride
CID 69338392
4-(1-Methylimidazol-1-ium-1-yl)butan-1-amine
CID 70491308
N'-butyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 89770656
N'-[3-[ethyl(propyl)amino]propyl]-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248344
N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide
CID 123260106
N-ethenyl-N'-(2-methylbutyl)methanimidamide
CID 123599745

Frequently Asked Questions

What is the IUPAC name of butyl-ethenyl-(methylaminomethylidene)azanium?
The IUPAC name of butyl-ethenyl-(methylaminomethylidene)azanium (CID 145156153) is butyl-ethenyl-(methylaminomethylidene)azanium.
What is the SMILES notation for butyl-ethenyl-(methylaminomethylidene)azanium?
The canonical SMILES for butyl-ethenyl-(methylaminomethylidene)azanium is C=C/[N+](=C\NC)CCCC.
What is the InChIKey of butyl-ethenyl-(methylaminomethylidene)azanium?
The InChIKey is CAGWIJJPYWEXFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2/c1-4-6-7-10(5-2)8-9-3/h5,8H,2,4,6-7H2,1,3H3/p+1.
What are the key properties of butyl-ethenyl-(methylaminomethylidene)azanium?
butyl-ethenyl-(methylaminomethylidene)azanium has a molecular weight of 141.24 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethenyl-(methylaminomethylidene)azanium is sourced from PubChem (CID 145156153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).