3-cyano-1,1-dimethyl-2-propylguanidine

C7H14N4 — CID 142431892

IUPAC3-cyano-1,1-dimethyl-2-propylguanidine
SMILESCCC/N=C(/NC#N)N(C)C
InChIInChI=1S/C7H14N4/c1-4-5-9-7(10-6-8)11(2)3/h4-5H2,1-3H3,(H,9,10)
InChIKeyQSGMONHQGQJMBW-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.38
Rot. Bonds2

About 3-cyano-1,1-dimethyl-2-propylguanidine

3-cyano-1,1-dimethyl-2-propylguanidine (PubChem CID 142431892) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3-cyano-1,1-dimethyl-2-propylguanidine.

Molecular Properties

Compound Name3-cyano-1,1-dimethyl-2-propylguanidine
PubChem CID142431892
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3-cyano-1,1-dimethyl-2-propylguanidine
SMILESCCC/N=C(/NC#N)N(C)C
InChIInChI=1S/C7H14N4/c1-4-5-9-7(10-6-8)11(2)3/h4-5H2,1-3H3,(H,9,10)
InChIKeyQSGMONHQGQJMBW-UHFFFAOYSA-N
XLogP0.38
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of 3-cyano-1,1-dimethyl-2-propylguanidine?
The IUPAC name of 3-cyano-1,1-dimethyl-2-propylguanidine (CID 142431892) is 3-cyano-1,1-dimethyl-2-propylguanidine.
What is the SMILES notation for 3-cyano-1,1-dimethyl-2-propylguanidine?
The canonical SMILES for 3-cyano-1,1-dimethyl-2-propylguanidine is CCC/N=C(/NC#N)N(C)C.
What is the InChIKey of 3-cyano-1,1-dimethyl-2-propylguanidine?
The InChIKey is QSGMONHQGQJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-5-9-7(10-6-8)11(2)3/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 3-cyano-1,1-dimethyl-2-propylguanidine?
3-cyano-1,1-dimethyl-2-propylguanidine has a molecular weight of 154.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1,1-dimethyl-2-propylguanidine is sourced from PubChem (CID 142431892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).