2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine

C19H28N8 — CID 176533869

IUPAC2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine
SMILESN/C(=N\c1ccccc1)Nc1ccccc1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C13H13N3.C6H15N5/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-3-4-10-6(9)11-5(7)8/h1-10H,(H3,14,15,16);2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyCSZJPHXMVZBSNR-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.33
Rot. Bonds5

About 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine

2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine (PubChem CID 176533869) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine
PubChem CID176533869
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC Name2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine
SMILESN/C(=N\c1ccccc1)Nc1ccccc1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C13H13N3.C6H15N5/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-3-4-10-6(9)11-5(7)8/h1-10H,(H3,14,15,16);2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyCSZJPHXMVZBSNR-UHFFFAOYSA-N
XLogP2.33
TPSA150.69 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 52.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
CID 176531380
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
2-dodecyl-1-phenylguanidine
CID 101076594
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;10H-phenothiazine;hydrochloride
CID 176531382
2-benzhydryloxy-N,N-dimethylethanamine;2-butyl-1-carbamimidoylguanidine;dihydrochloride
CID 176527084
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine (CID 176533869) is 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine is N/C(=N\c1ccccc1)Nc1ccccc1.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine?
The InChIKey is CSZJPHXMVZBSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.C6H15N5/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-3-4-10-6(9)11-5(7)8/h1-10H,(H3,14,15,16);2-4H2,1H3,(H6,7,8,9,10,11).
What are the key properties of 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine?
2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine has a molecular weight of 368.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine is sourced from PubChem (CID 176533869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).