1-aminopropyl(propoxy)phosphinic acid;butane

C10H26NO3P — CID 88813664

IUPAC1-aminopropyl(propoxy)phosphinic acid;butane
SMILESCCCC.CCCOP(=O)(O)C(N)CC
InChIInChI=1S/C6H16NO3P.C4H10/c1-3-5-10-11(8,9)6(7)4-2;1-3-4-2/h6H,3-5,7H2,1-2H3,(H,8,9);3-4H2,1-2H3
InChIKeyFNXKWUDJWSUUGQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.10
Rot. Bonds6

About 1-aminopropyl(propoxy)phosphinic acid;butane

1-aminopropyl(propoxy)phosphinic acid;butane (PubChem CID 88813664) has the molecular formula C10H26NO3P and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-aminopropyl(propoxy)phosphinic acid;butane.

Molecular Properties

Compound Name1-aminopropyl(propoxy)phosphinic acid;butane
PubChem CID88813664
Molecular FormulaC10H26NO3P
Molecular Weight239.30 g/mol
Exact Mass239.17
IUPAC Name1-aminopropyl(propoxy)phosphinic acid;butane
SMILESCCCC.CCCOP(=O)(O)C(N)CC
InChIInChI=1S/C6H16NO3P.C4H10/c1-3-5-10-11(8,9)6(7)4-2;1-3-4-2/h6H,3-5,7H2,1-2H3,(H,8,9);3-4H2,1-2H3
InChIKeyFNXKWUDJWSUUGQ-UHFFFAOYSA-N
XLogP3.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-aminoethoxy(1-aminopentyl)phosphinic acid
CID 174932850
[2-ethoxy-1-[hydroxy(propoxy)phosphoryl]-2-oxoethyl]-propoxyphosphinic acid
CID 87375656
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
1-dimethylphosphorylpropan-1-amine;hydrobromide
CID 159377336
propyl dihydrogen phosphate;urea
CID 88818408
pentan-3-yl propyl hydrogen phosphate
CID 151314588
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
CID 88714482
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
CID 58140328

Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl(propoxy)phosphinic acid;butane?
The IUPAC name of 1-aminopropyl(propoxy)phosphinic acid;butane (CID 88813664) is 1-aminopropyl(propoxy)phosphinic acid;butane.
What is the SMILES notation for 1-aminopropyl(propoxy)phosphinic acid;butane?
The canonical SMILES for 1-aminopropyl(propoxy)phosphinic acid;butane is CCCC.CCCOP(=O)(O)C(N)CC.
What is the InChIKey of 1-aminopropyl(propoxy)phosphinic acid;butane?
The InChIKey is FNXKWUDJWSUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P.C4H10/c1-3-5-10-11(8,9)6(7)4-2;1-3-4-2/h6H,3-5,7H2,1-2H3,(H,8,9);3-4H2,1-2H3.
What are the key properties of 1-aminopropyl(propoxy)phosphinic acid;butane?
1-aminopropyl(propoxy)phosphinic acid;butane has a molecular weight of 239.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl(propoxy)phosphinic acid;butane is sourced from PubChem (CID 88813664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).