1-(N'-benzylcarbamimidoyl)-2-hexylguanidine

C15H25N5 — CID 53307323

IUPAC1-(N'-benzylcarbamimidoyl)-2-hexylguanidine
SMILESCCCCCC/N=C(\N)N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C15H25N5/c1-2-3-4-8-11-18-14(16)20-15(17)19-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H5,16,17,18,19,20)
InChIKeyGBBALJBYRYJBDL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.99
Rot. Bonds7

About 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine

1-(N'-benzylcarbamimidoyl)-2-hexylguanidine (PubChem CID 53307323) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine.

Molecular Properties

Compound Name1-(N'-benzylcarbamimidoyl)-2-hexylguanidine
PubChem CID53307323
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-(N'-benzylcarbamimidoyl)-2-hexylguanidine
SMILESCCCCCC/N=C(\N)N/C(N)=N/Cc1ccccc1
InChIInChI=1S/C15H25N5/c1-2-3-4-8-11-18-14(16)20-15(17)19-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H5,16,17,18,19,20)
InChIKeyGBBALJBYRYJBDL-UHFFFAOYSA-N
XLogP1.99
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
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 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine?
The IUPAC name of 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine (CID 53307323) is 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine.
What is the SMILES notation for 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine?
The canonical SMILES for 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine is CCCCCC/N=C(\N)N/C(N)=N/Cc1ccccc1.
What is the InChIKey of 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine?
The InChIKey is GBBALJBYRYJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-3-4-8-11-18-14(16)20-15(17)19-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H5,16,17,18,19,20).
What are the key properties of 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine?
1-(N'-benzylcarbamimidoyl)-2-hexylguanidine has a molecular weight of 275.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-benzylcarbamimidoyl)-2-hexylguanidine is sourced from PubChem (CID 53307323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).