ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide

C10H17N5 — CID 143465984

IUPACethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide
SMILESCC.[H]/N=C(\N(C)/C=N/C=C)n1ccnc1
InChIInChI=1S/C8H11N5.C2H6/c1-3-10-6-12(2)8(9)13-5-4-11-7-13;1-2/h3-7,9H,1H2,2H3;1-2H3/b9-8+,10-6+;
InChIKeyFXSGXTDVVIYYLO-DUBWHRINSA-N
MW207.28 g/mol
LogP1.80
Rot. Bonds2

About ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide

ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide (PubChem CID 143465984) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide.

Molecular Properties

Compound Nameethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide
PubChem CID143465984
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Nameethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide
SMILESCC.[H]/N=C(\N(C)/C=N/C=C)n1ccnc1
InChIInChI=1S/C8H11N5.C2H6/c1-3-10-6-12(2)8(9)13-5-4-11-7-13;1-2/h3-7,9H,1H2,2H3;1-2H3/b9-8+,10-6+;
InChIKeyFXSGXTDVVIYYLO-DUBWHRINSA-N
XLogP1.80
TPSA57.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide?
The IUPAC name of ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide (CID 143465984) is ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide.
What is the SMILES notation for ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide?
The canonical SMILES for ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide is CC.[H]/N=C(\N(C)/C=N/C=C)n1ccnc1.
What is the InChIKey of ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide?
The InChIKey is FXSGXTDVVIYYLO-DUBWHRINSA-N. The full InChI is InChI=1S/C8H11N5.C2H6/c1-3-10-6-12(2)8(9)13-5-4-11-7-13;1-2/h3-7,9H,1H2,2H3;1-2H3/b9-8+,10-6+;.
What are the key properties of ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide?
ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(ethenyliminomethyl)-N-methylimidazole-1-carboximidamide is sourced from PubChem (CID 143465984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).