1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine

C6H13N5 — CID 176547008

IUPAC1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1CC1C
InChIInChI=1S/C6H13N5/c1-3-2-4(3)10-6(9)11-5(7)8/h3-4H,2H2,1H3,(H6,7,8,9,10,11)
InChIKeyBYPNQNDLUXPUBY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.81
Rot. Bonds1

About 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine

1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine (PubChem CID 176547008) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine
PubChem CID176547008
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C1CC1C
InChIInChI=1S/C6H13N5/c1-3-2-4(3)10-6(9)11-5(7)8/h3-4H,2H2,1H3,(H6,7,8,9,10,11)
InChIKeyBYPNQNDLUXPUBY-UHFFFAOYSA-N
XLogP-0.81
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.81
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 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine (CID 176547008) is 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine is [H]/N=C(\N)N/C(N)=N/C1CC1C.
What is the InChIKey of 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine?
The InChIKey is BYPNQNDLUXPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-3-2-4(3)10-6(9)11-5(7)8/h3-4H,2H2,1H3,(H6,7,8,9,10,11).
What are the key properties of 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine?
1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine has a molecular weight of 155.20 g/mol, XLogP of -0.81, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 176547008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).