1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane

C8H18N4 — CID 144922511

IUPAC1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane
SMILESC/N=C(\N)N(C)CCC#N.CC
InChIInChI=1S/C6H12N4.C2H6/c1-9-6(8)10(2)5-3-4-7;1-2/h3,5H2,1-2H3,(H2,8,9);1-2H3
InChIKeyAQZAXJWMEIACKR-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.80
Rot. Bonds2

About 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane

1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane (PubChem CID 144922511) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane
PubChem CID144922511
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane
SMILESC/N=C(\N)N(C)CCC#N.CC
InChIInChI=1S/C6H12N4.C2H6/c1-9-6(8)10(2)5-3-4-7;1-2/h3,5H2,1-2H3,(H2,8,9);1-2H3
InChIKeyAQZAXJWMEIACKR-UHFFFAOYSA-N
XLogP0.80
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane?
The IUPAC name of 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane (CID 144922511) is 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane.
What is the SMILES notation for 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane?
The canonical SMILES for 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane is C/N=C(\N)N(C)CCC#N.CC.
What is the InChIKey of 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane?
The InChIKey is AQZAXJWMEIACKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.C2H6/c1-9-6(8)10(2)5-3-4-7;1-2/h3,5H2,1-2H3,(H2,8,9);1-2H3.
What are the key properties of 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane?
1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane has a molecular weight of 170.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1,2-dimethylguanidine;ethane is sourced from PubChem (CID 144922511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).