1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine

C10H24N6 — CID 88621459

IUPAC1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine
SMILES[H]/N=C(\N)N(CCCC)N/C(N)=N/CC(C)C
InChIInChI=1S/C10H24N6/c1-4-5-6-16(9(11)12)15-10(13)14-7-8(2)3/h8H,4-7H2,1-3H3,(H3,11,12)(H3,13,14,15)
InChIKeyRKGLFHDKWJXOTR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds5

About 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine

1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine (PubChem CID 88621459) has the molecular formula C10H24N6 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine.

Molecular Properties

Compound Name1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine
PubChem CID88621459
Molecular FormulaC10H24N6
Molecular Weight228.34 g/mol
Exact Mass228.21
IUPAC Name1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine
SMILES[H]/N=C(\N)N(CCCC)N/C(N)=N/CC(C)C
InChIInChI=1S/C10H24N6/c1-4-5-6-16(9(11)12)15-10(13)14-7-8(2)3/h8H,4-7H2,1-3H3,(H3,11,12)(H3,13,14,15)
InChIKeyRKGLFHDKWJXOTR-UHFFFAOYSA-N
XLogP0.46
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.46
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine?
The IUPAC name of 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine (CID 88621459) is 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine.
What is the SMILES notation for 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine?
The canonical SMILES for 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine is [H]/N=C(\N)N(CCCC)N/C(N)=N/CC(C)C.
What is the InChIKey of 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine?
The InChIKey is RKGLFHDKWJXOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N6/c1-4-5-6-16(9(11)12)15-10(13)14-7-8(2)3/h8H,4-7H2,1-3H3,(H3,11,12)(H3,13,14,15).
What are the key properties of 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine?
1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-[[N'-(2-methylpropyl)carbamimidoyl]amino]guanidine is sourced from PubChem (CID 88621459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).