2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine

C13H28N8 — CID 57352300

IUPAC2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine
SMILESCCCC/N=C(\N)NN=CC(C)=NN/C(N)=N/CCCC
InChIInChI=1S/C13H28N8/c1-4-6-8-16-12(14)20-18-10-11(3)19-21-13(15)17-9-7-5-2/h10H,4-9H2,1-3H3,(H3,14,16,20)(H3,15,17,21)
InChIKeyDCVQOLOVXUUDBR-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.76
Rot. Bonds9

About 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine

2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine (PubChem CID 57352300) has the molecular formula C13H28N8 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine.

Molecular Properties

Compound Name2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine
PubChem CID57352300
Molecular FormulaC13H28N8
Molecular Weight296.42 g/mol
Exact Mass296.24
IUPAC Name2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine
SMILESCCCC/N=C(\N)NN=CC(C)=NN/C(N)=N/CCCC
InChIInChI=1S/C13H28N8/c1-4-6-8-16-12(14)20-18-10-11(3)19-21-13(15)17-9-7-5-2/h10H,4-9H2,1-3H3,(H3,14,16,20)(H3,15,17,21)
InChIKeyDCVQOLOVXUUDBR-UHFFFAOYSA-N
XLogP0.76
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine?
The IUPAC name of 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine (CID 57352300) is 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine.
What is the SMILES notation for 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine?
The canonical SMILES for 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine is CCCC/N=C(\N)NN=CC(C)=NN/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine?
The InChIKey is DCVQOLOVXUUDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N8/c1-4-6-8-16-12(14)20-18-10-11(3)19-21-13(15)17-9-7-5-2/h10H,4-9H2,1-3H3,(H3,14,16,20)(H3,15,17,21).
What are the key properties of 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine?
2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine has a molecular weight of 296.42 g/mol, XLogP of 0.76, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[1-[(N'-butylcarbamimidoyl)hydrazinylidene]propan-2-ylideneamino]guanidine is sourced from PubChem (CID 57352300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).