2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine

C9H17N5 — CID 176524021

IUPAC2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/C12CCC(CC1)C2
InChIInChI=1S/C9H17N5/c10-7(11)13-8(12)14-9-3-1-6(5-9)2-4-9/h6H,1-5H2,(H6,10,11,12,13,14)
InChIKeyJKVQNBINFCYTBL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.12
Rot. Bonds1

About 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine

2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine (PubChem CID 176524021) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine
PubChem CID176524021
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/C12CCC(CC1)C2
InChIInChI=1S/C9H17N5/c10-7(11)13-8(12)14-9-3-1-6(5-9)2-4-9/h6H,1-5H2,(H6,10,11,12,13,14)
InChIKeyJKVQNBINFCYTBL-UHFFFAOYSA-N
XLogP0.12
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.12
H-Bond Donors ≤ 54
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 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine?
The IUPAC name of 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine (CID 176524021) is 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine?
The canonical SMILES for 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine is [H]/N=C(\N)N/C(N)=N/C12CCC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine?
The InChIKey is JKVQNBINFCYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-7(11)13-8(12)14-9-3-1-6(5-9)2-4-9/h6H,1-5H2,(H6,10,11,12,13,14).
What are the key properties of 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine?
2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine has a molecular weight of 195.27 g/mol, XLogP of 0.12, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]heptanyl)-1-carbamimidoylguanidine is sourced from PubChem (CID 176524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).