2-butyl-1-carbamimidoylguanidine

C6H15N5 — CID 176516704

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IUPAC2-butyl-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyXSEUMFJMFFMCIU-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.42
Rot. Bonds3

About 2-butyl-1-carbamimidoylguanidine

2-butyl-1-carbamimidoylguanidine (PubChem CID 176516704) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine
PubChem CID176516704
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name2-butyl-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyXSEUMFJMFFMCIU-UHFFFAOYSA-N
XLogP-0.42
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-butyl-1-carbamimidoylguanidine?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine (CID 176516704) is 2-butyl-1-carbamimidoylguanidine.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine is [H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine?
The InChIKey is XSEUMFJMFFMCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11).
What are the key properties of 2-butyl-1-carbamimidoylguanidine?
2-butyl-1-carbamimidoylguanidine has a molecular weight of 157.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine is sourced from PubChem (CID 176516704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).