butoxyphosphonamidic acid;guanidine

C5H17N4O3P — CID 175407488

IUPACbutoxyphosphonamidic acid;guanidine
SMILESCCCCOP(N)(=O)O.[H]N=C(N)N
InChIInChI=1S/C4H12NO3P.CH5N3/c1-2-3-4-8-9(5,6)7;2-1(3)4/h2-4H2,1H3,(H3,5,6,7);(H5,2,3,4)
InChIKeyYGCVFAPZDOIGJD-UHFFFAOYSA-N
MW212.19 g/mol
LogP-0.30
Rot. Bonds4

About butoxyphosphonamidic acid;guanidine

butoxyphosphonamidic acid;guanidine (PubChem CID 175407488) has the molecular formula C5H17N4O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is butoxyphosphonamidic acid;guanidine.

Molecular Properties

Compound Namebutoxyphosphonamidic acid;guanidine
PubChem CID175407488
Molecular FormulaC5H17N4O3P
Molecular Weight212.19 g/mol
Exact Mass212.10
IUPAC Namebutoxyphosphonamidic acid;guanidine
SMILESCCCCOP(N)(=O)O.[H]N=C(N)N
InChIInChI=1S/C4H12NO3P.CH5N3/c1-2-3-4-8-9(5,6)7;2-1(3)4/h2-4H2,1H3,(H3,5,6,7);(H5,2,3,4)
InChIKeyYGCVFAPZDOIGJD-UHFFFAOYSA-N
XLogP-0.30
TPSA148.44 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutyl hydrogen phosphate
CID 158586372
1-aminoethenyl butyl hydrogen phosphate
CID 174480926
azane;butyl dihydrogen phosphate
CID 173333807
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
butoxy(ethyl)phosphinic acid
CID 71353007
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
butyl heptyl hydrogen phosphate
CID 86151412
4-chlorobutoxyphosphonamidic acid
CID 87844580
dibutoxyphosphorylmethylphosphonic acid
CID 57169344
butyl phosphono hydrogen phosphate
CID 22278195
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
butoxy(tert-butyl)phosphinic acid
CID 15271226

Frequently Asked Questions

What is the IUPAC name of butoxyphosphonamidic acid;guanidine?
The IUPAC name of butoxyphosphonamidic acid;guanidine (CID 175407488) is butoxyphosphonamidic acid;guanidine.
What is the SMILES notation for butoxyphosphonamidic acid;guanidine?
The canonical SMILES for butoxyphosphonamidic acid;guanidine is CCCCOP(N)(=O)O.[H]N=C(N)N.
What is the InChIKey of butoxyphosphonamidic acid;guanidine?
The InChIKey is YGCVFAPZDOIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P.CH5N3/c1-2-3-4-8-9(5,6)7;2-1(3)4/h2-4H2,1H3,(H3,5,6,7);(H5,2,3,4).
What are the key properties of butoxyphosphonamidic acid;guanidine?
butoxyphosphonamidic acid;guanidine has a molecular weight of 212.19 g/mol, XLogP of -0.30, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxyphosphonamidic acid;guanidine is sourced from PubChem (CID 175407488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).