3-cyano-2-ethyl-1,1-dimethylguanidine

C6H12N4 — CID 59020863

IUPAC3-cyano-2-ethyl-1,1-dimethylguanidine
SMILESCC/N=C(/NC#N)N(C)C
InChIInChI=1S/C6H12N4/c1-4-8-6(9-5-7)10(2)3/h4H2,1-3H3,(H,8,9)
InChIKeySTJJKVRVTSRION-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.01
Rot. Bonds1

About 3-cyano-2-ethyl-1,1-dimethylguanidine

3-cyano-2-ethyl-1,1-dimethylguanidine (PubChem CID 59020863) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-cyano-2-ethyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-cyano-2-ethyl-1,1-dimethylguanidine
PubChem CID59020863
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-cyano-2-ethyl-1,1-dimethylguanidine
SMILESCC/N=C(/NC#N)N(C)C
InChIInChI=1S/C6H12N4/c1-4-8-6(9-5-7)10(2)3/h4H2,1-3H3,(H,8,9)
InChIKeySTJJKVRVTSRION-UHFFFAOYSA-N
XLogP-0.01
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 24812808
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CID 351600
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CID 370386
CID 370386
CID 140272
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CID 21361117
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CID 46909031
CID 46909031
CID 10176486
CID 10176486
CID 12594251
CID 12594251
CID 9812867
CID 9812867
CID 9899016
CID 9899016

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-ethyl-1,1-dimethylguanidine?
The IUPAC name of 3-cyano-2-ethyl-1,1-dimethylguanidine (CID 59020863) is 3-cyano-2-ethyl-1,1-dimethylguanidine.
What is the SMILES notation for 3-cyano-2-ethyl-1,1-dimethylguanidine?
The canonical SMILES for 3-cyano-2-ethyl-1,1-dimethylguanidine is CC/N=C(/NC#N)N(C)C.
What is the InChIKey of 3-cyano-2-ethyl-1,1-dimethylguanidine?
The InChIKey is STJJKVRVTSRION-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-8-6(9-5-7)10(2)3/h4H2,1-3H3,(H,8,9).
What are the key properties of 3-cyano-2-ethyl-1,1-dimethylguanidine?
3-cyano-2-ethyl-1,1-dimethylguanidine has a molecular weight of 140.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-ethyl-1,1-dimethylguanidine is sourced from PubChem (CID 59020863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).