[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium

C8H19N4+ — CID 90474149

IUPAC[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium
SMILESCCCCN/N=C(\C)N=[N+](C)C
InChIInChI=1S/C8H18N4/c1-5-6-7-9-10-8(2)11-12(3)4/h5-7H2,1-4H3/p+1
InChIKeyXQODMEPTAZTCJF-UHFFFAOYSA-O
MW171.27 g/mol
LogP1.43
Rot. Bonds4

About [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium

[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium (PubChem CID 90474149) has the molecular formula C8H19N4+ and a molecular weight of 171.27 g/mol. Its IUPAC name is [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium.

Molecular Properties

Compound Name[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium
PubChem CID90474149
Molecular FormulaC8H19N4+
Molecular Weight171.27 g/mol
Exact Mass171.16
IUPAC Name[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium
SMILESCCCCN/N=C(\C)N=[N+](C)C
InChIInChI=1S/C8H18N4/c1-5-6-7-9-10-8(2)11-12(3)4/h5-7H2,1-4H3/p+1
InChIKeyXQODMEPTAZTCJF-UHFFFAOYSA-O
XLogP1.43
TPSA39.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide
CID 173467948
[(E)-N-(ethylamino)-C-propylcarbonimidoyl]imino-dimethylazanium
CID 90473032
N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine
CID 166934851
(2Z)-2-(octadecylhydrazinylidene)propanoic acid
CID 88766395
2-(pentylhydrazinylidene)propanedinitrile
CID 87178264
(6Z)-6-(octylhydrazinylidene)heptan-1-ol
CID 6393234
2-(propylhydrazinylidene)propanoic acid
CID 73183649
N-butyl-3-oxobutanamide
CID 5161533
N-thionitrosopentan-1-amine
CID 87525507
N-thionitrosohexan-1-amine
CID 88687267
acetamide;N-butylbutan-1-amine
CID 172792447
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096

Frequently Asked Questions

What is the IUPAC name of [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium?
The IUPAC name of [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium (CID 90474149) is [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium.
What is the SMILES notation for [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium?
The canonical SMILES for [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium is CCCCN/N=C(\C)N=[N+](C)C.
What is the InChIKey of [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium?
The InChIKey is XQODMEPTAZTCJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N4/c1-5-6-7-9-10-8(2)11-12(3)4/h5-7H2,1-4H3/p+1.
What are the key properties of [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium?
[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium has a molecular weight of 171.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium is sourced from PubChem (CID 90474149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).