1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide

C10H18N4 — CID 166162243

IUPAC1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide
SMILESCCCC[NH+]1CCCC1.N#CN=C=[N-]
InChIInChI=1S/C8H17N.C2N3/c1-2-3-6-9-7-4-5-8-9;3-1-5-2-4/h2-8H2,1H3;/q;-1/p+1
InChIKeyHDPBBXVFRBVYDL-UHFFFAOYSA-O
MW194.28 g/mol
LogP0.68
Rot. Bonds3

About 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide

1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide (PubChem CID 166162243) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide.

Molecular Properties

Compound Name1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide
PubChem CID166162243
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide
SMILESCCCC[NH+]1CCCC1.N#CN=C=[N-]
InChIInChI=1S/C8H17N.C2N3/c1-2-3-6-9-7-4-5-8-9;3-1-5-2-4/h2-8H2,1H3;/q;-1/p+1
InChIKeyHDPBBXVFRBVYDL-UHFFFAOYSA-O
XLogP0.68
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-butylpyrrolidin-1-ium acetate
CID 118062280
1-butylpyrrolidin-1-ium;dihydrogen phosphate
CID 163359822
acetonitrile;4-butylmorpholin-4-ium
CID 86752402
cyanoiminomethylideneazanide;tritert-butyl(octyl)phosphanium
CID 159949465
1-propylpiperidin-1-ium
CID 36689403
1-decylpyrrolidin-1-ium acetate
CID 171569626
4-butylmorpholin-4-ium
CID 18931037
1-heptyl-4-methylpiperazine-1,4-diium
CID 101132983
3-butyl-5-methyl-1H-imidazol-3-ium;cyanoiminomethylideneazanide
CID 176652136
cyanoiminomethylideneazanide;1-decyl-3-methylimidazol-3-ium
CID 140581086
1-butyl-2,3,5-trimethylpyrazol-2-ium;cyanoiminomethylideneazanide
CID 134716225
cyanoiminomethylideneazanide;1-heptyl-3-methylimidazol-3-ium;1-methyl-3-octylimidazol-1-ium
CID 157240334

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide?
The IUPAC name of 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide (CID 166162243) is 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide.
What is the SMILES notation for 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide?
The canonical SMILES for 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide is CCCC[NH+]1CCCC1.N#CN=C=[N-].
What is the InChIKey of 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide?
The InChIKey is HDPBBXVFRBVYDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N.C2N3/c1-2-3-6-9-7-4-5-8-9;3-1-5-2-4/h2-8H2,1H3;/q;-1/p+1.
What are the key properties of 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide?
1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide has a molecular weight of 194.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidin-1-ium;cyanoiminomethylideneazanide is sourced from PubChem (CID 166162243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).