2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine

C9H15N5 — CID 175060908

IUPAC2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1=C2CCC(C2)C1
InChIInChI=1S/C9H15N5/c10-8(11)14-9(12)13-7-4-5-1-2-6(7)3-5/h5H,1-4H2,(H6,10,11,12,13,14)
InChIKeyPWEYXOJPTGQPDX-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.03
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine

2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine (PubChem CID 175060908) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine
PubChem CID175060908
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1=C2CCC(C2)C1
InChIInChI=1S/C9H15N5/c10-8(11)14-9(12)13-7-4-5-1-2-6(7)3-5/h5H,1-4H2,(H6,10,11,12,13,14)
InChIKeyPWEYXOJPTGQPDX-UHFFFAOYSA-N
XLogP0.03
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine (CID 175060908) is 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/C1=C2CCC(C2)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine?
The InChIKey is PWEYXOJPTGQPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8(11)14-9(12)13-7-4-5-1-2-6(7)3-5/h5H,1-4H2,(H6,10,11,12,13,14).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine?
2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine has a molecular weight of 193.25 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-1-enyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 175060908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).