1-amino-2,3-dibutylguanidine

C9H22N4 — CID 116511844

IUPAC1-amino-2,3-dibutylguanidine
SMILESCCCC/N=C(\NN)NCCCC
InChIInChI=1S/C9H22N4/c1-3-5-7-11-9(13-10)12-8-6-4-2/h3-8,10H2,1-2H3,(H2,11,12,13)
InChIKeyCIPYQYHZVADBGN-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.00
Rot. Bonds6

About 1-amino-2,3-dibutylguanidine

1-amino-2,3-dibutylguanidine (PubChem CID 116511844) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-amino-2,3-dibutylguanidine.

Molecular Properties

Compound Name1-amino-2,3-dibutylguanidine
PubChem CID116511844
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-amino-2,3-dibutylguanidine
SMILESCCCC/N=C(\NN)NCCCC
InChIInChI=1S/C9H22N4/c1-3-5-7-11-9(13-10)12-8-6-4-2/h3-8,10H2,1-2H3,(H2,11,12,13)
InChIKeyCIPYQYHZVADBGN-UHFFFAOYSA-N
XLogP1.00
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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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Related Compounds

1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1-amino-2-butyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 104882550
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1,2-dibutyl-3-phosphorosoguanidine
CID 118879347
1,2,3-trihexylguanidine
CID 173050322
1-amino-3-butyl-2-[3-(1H-imidazol-2-yl)propyl]guanidine
CID 116516477
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-2-butyl-3-(3-phenylbutyl)guanidine
CID 116515165

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dibutylguanidine?
The IUPAC name of 1-amino-2,3-dibutylguanidine (CID 116511844) is 1-amino-2,3-dibutylguanidine.
What is the SMILES notation for 1-amino-2,3-dibutylguanidine?
The canonical SMILES for 1-amino-2,3-dibutylguanidine is CCCC/N=C(\NN)NCCCC.
What is the InChIKey of 1-amino-2,3-dibutylguanidine?
The InChIKey is CIPYQYHZVADBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-3-5-7-11-9(13-10)12-8-6-4-2/h3-8,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-2,3-dibutylguanidine?
1-amino-2,3-dibutylguanidine has a molecular weight of 186.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dibutylguanidine is sourced from PubChem (CID 116511844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).