potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane

C12H24KN3 — CID 177247485

IUPACpotassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane
SMILESC=C/N=C(\C=C)N1CCC(N)C1.CC.[CH3-].[K+]
InChIInChI=1S/C9H15N3.C2H6.CH3.K/c1-3-9(11-4-2)12-6-5-8(10)7-12;1-2;;/h3-4,8H,1-2,5-7,10H2;1-2H3;1H3;/q;;-1;+1/b11-9+;;;
InChIKeyVVRAIBSXMUDTOP-OOQPXJNPSA-N
MW249.44 g/mol
LogP-0.77
Rot. Bonds2

About potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane

potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane (PubChem CID 177247485) has the molecular formula C12H24KN3 and a molecular weight of 249.44 g/mol. Its IUPAC name is potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane.

Molecular Properties

Compound Namepotassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane
PubChem CID177247485
Molecular FormulaC12H24KN3
Molecular Weight249.44 g/mol
Exact Mass249.16
IUPAC Namepotassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane
SMILESC=C/N=C(\C=C)N1CCC(N)C1.CC.[CH3-].[K+]
InChIInChI=1S/C9H15N3.C2H6.CH3.K/c1-3-9(11-4-2)12-6-5-8(10)7-12;1-2;;/h3-4,8H,1-2,5-7,10H2;1-2H3;1H3;/q;;-1;+1/b11-9+;;;
InChIKeyVVRAIBSXMUDTOP-OOQPXJNPSA-N
XLogP-0.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-N'-[(2S)-butan-2-yl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]prop-2-enimidamide
CID 89350974
1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256056
(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256060
(3R)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256089
(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256103
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(2,2-dimethylpropylamino)ethenyl]carbonimidoyl]-N-methylpyrrolidin-3-amine
CID 173483704
1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine
CID 174194521
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 174833381
ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
CID 177247489
1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine
CID 177247486
N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
CID 177247490

Frequently Asked Questions

What is the IUPAC name of potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane?
The IUPAC name of potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane (CID 177247485) is potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane.
What is the SMILES notation for potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane?
The canonical SMILES for potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane is C=C/N=C(\C=C)N1CCC(N)C1.CC.[CH3-].[K+].
What is the InChIKey of potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane?
The InChIKey is VVRAIBSXMUDTOP-OOQPXJNPSA-N. The full InChI is InChI=1S/C9H15N3.C2H6.CH3.K/c1-3-9(11-4-2)12-6-5-8(10)7-12;1-2;;/h3-4,8H,1-2,5-7,10H2;1-2H3;1H3;/q;;-1;+1/b11-9+;;;.
What are the key properties of potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane?
potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane has a molecular weight of 249.44 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane is sourced from PubChem (CID 177247485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).