2-cyano-1,1-dicyclopropylguanidine

C8H12N4 — CID 21492978

IUPAC2-cyano-1,1-dicyclopropylguanidine
SMILESN#C/N=C(\N)N(C1CC1)C1CC1
InChIInChI=1S/C8H12N4/c9-5-11-8(10)12(6-1-2-6)7-3-4-7/h6-7H,1-4H2,(H2,10,11)
InChIKeyCUEBOFOJDKGMFP-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.41
Rot. Bonds2

About 2-cyano-1,1-dicyclopropylguanidine

2-cyano-1,1-dicyclopropylguanidine (PubChem CID 21492978) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-cyano-1,1-dicyclopropylguanidine.

Molecular Properties

Compound Name2-cyano-1,1-dicyclopropylguanidine
PubChem CID21492978
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-cyano-1,1-dicyclopropylguanidine
SMILESN#C/N=C(\N)N(C1CC1)C1CC1
InChIInChI=1S/C8H12N4/c9-5-11-8(10)12(6-1-2-6)7-3-4-7/h6-7H,1-4H2,(H2,10,11)
InChIKeyCUEBOFOJDKGMFP-UHFFFAOYSA-N
XLogP0.41
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 2-cyano-1,1-dicyclopropylguanidine?
The IUPAC name of 2-cyano-1,1-dicyclopropylguanidine (CID 21492978) is 2-cyano-1,1-dicyclopropylguanidine.
What is the SMILES notation for 2-cyano-1,1-dicyclopropylguanidine?
The canonical SMILES for 2-cyano-1,1-dicyclopropylguanidine is N#C/N=C(\N)N(C1CC1)C1CC1.
What is the InChIKey of 2-cyano-1,1-dicyclopropylguanidine?
The InChIKey is CUEBOFOJDKGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-5-11-8(10)12(6-1-2-6)7-3-4-7/h6-7H,1-4H2,(H2,10,11).
What are the key properties of 2-cyano-1,1-dicyclopropylguanidine?
2-cyano-1,1-dicyclopropylguanidine has a molecular weight of 164.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1,1-dicyclopropylguanidine is sourced from PubChem (CID 21492978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).