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

C6H12N4 — CID 62360251

IUPAC1-(2-cyanoethyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCC#N
InChIInChI=1S/C6H12N4/c1-9-6(8)10(2)5-3-4-7/h3,5H2,1-2H3,(H2,8,9)
InChIKeyMSUXJBHQMWBDDJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.22
Rot. Bonds2

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

1-(2-cyanoethyl)-1,2-dimethylguanidine (PubChem CID 62360251) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1,2-dimethylguanidine
PubChem CID62360251
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(2-cyanoethyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCC#N
InChIInChI=1S/C6H12N4/c1-9-6(8)10(2)5-3-4-7/h3,5H2,1-2H3,(H2,8,9)
InChIKeyMSUXJBHQMWBDDJ-UHFFFAOYSA-N
XLogP-0.22
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.22
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?
The IUPAC name of 1-(2-cyanoethyl)-1,2-dimethylguanidine (CID 62360251) is 1-(2-cyanoethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(2-cyanoethyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(2-cyanoethyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)CCC#N.
What is the InChIKey of 1-(2-cyanoethyl)-1,2-dimethylguanidine?
The InChIKey is MSUXJBHQMWBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-9-6(8)10(2)5-3-4-7/h3,5H2,1-2H3,(H2,8,9).
What are the key properties of 1-(2-cyanoethyl)-1,2-dimethylguanidine?
1-(2-cyanoethyl)-1,2-dimethylguanidine has a molecular weight of 140.19 g/mol, XLogP of -0.22, 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 is sourced from PubChem (CID 62360251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).