1,2-dibutyl-3-phosphorosoguanidine

C9H20N3OP — CID 118879347

IUPAC1,2-dibutyl-3-phosphorosoguanidine
SMILESCCCC/N=C(/NCCCC)NP=O
InChIInChI=1S/C9H20N3OP/c1-3-5-7-10-9(12-14-13)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12,13)
InChIKeyNFOUNZUTNNUCBS-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.33
Rot. Bonds7

About 1,2-dibutyl-3-phosphorosoguanidine

1,2-dibutyl-3-phosphorosoguanidine (PubChem CID 118879347) has the molecular formula C9H20N3OP and a molecular weight of 217.25 g/mol. Its IUPAC name is 1,2-dibutyl-3-phosphorosoguanidine.

Molecular Properties

Compound Name1,2-dibutyl-3-phosphorosoguanidine
PubChem CID118879347
Molecular FormulaC9H20N3OP
Molecular Weight217.25 g/mol
Exact Mass217.13
IUPAC Name1,2-dibutyl-3-phosphorosoguanidine
SMILESCCCC/N=C(/NCCCC)NP=O
InChIInChI=1S/C9H20N3OP/c1-3-5-7-10-9(12-14-13)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12,13)
InChIKeyNFOUNZUTNNUCBS-UHFFFAOYSA-N
XLogP2.33
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-amino-2,3-dibutylguanidine
CID 116511844
1,2,3-trihexylguanidine
CID 173050322
1-butyl-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111150960
1-(benzenesulfonyl)-2,3-dibutylguanidine
CID 2317105
1,2-dibutylguanidine;phosphoric acid
CID 166600390
tert-butyl N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]carbamate
CID 111150576
3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide
CID 111150008
1-amino-3-butyl-2-(4-methylsulfanylbutyl)guanidine
CID 104888513
1-amino-3-butyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888049
methyl 6-[[butylamino(ethylamino)methylidene]amino]hexanoate;hydroiodide
CID 111150591
1-amino-3-butyl-2-(7-methyloctyl)guanidine
CID 114004522
1,2-dibutylguanidine;nitric acid
CID 161280098

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3-phosphorosoguanidine?
The IUPAC name of 1,2-dibutyl-3-phosphorosoguanidine (CID 118879347) is 1,2-dibutyl-3-phosphorosoguanidine.
What is the SMILES notation for 1,2-dibutyl-3-phosphorosoguanidine?
The canonical SMILES for 1,2-dibutyl-3-phosphorosoguanidine is CCCC/N=C(/NCCCC)NP=O.
What is the InChIKey of 1,2-dibutyl-3-phosphorosoguanidine?
The InChIKey is NFOUNZUTNNUCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3OP/c1-3-5-7-10-9(12-14-13)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1,2-dibutyl-3-phosphorosoguanidine?
1,2-dibutyl-3-phosphorosoguanidine has a molecular weight of 217.25 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3-phosphorosoguanidine is sourced from PubChem (CID 118879347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).