butyl(1,2-diaminoethoxy)phosphinic acid

C6H17N2O3P — CID 174844964

IUPACbutyl(1,2-diaminoethoxy)phosphinic acid
SMILESCCCCP(=O)(O)OC(N)CN
InChIInChI=1S/C6H17N2O3P/c1-2-3-4-12(9,10)11-6(8)5-7/h6H,2-5,7-8H2,1H3,(H,9,10)
InChIKeyOKSLYZCWFUKRFZ-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.23
Rot. Bonds6

About butyl(1,2-diaminoethoxy)phosphinic acid

butyl(1,2-diaminoethoxy)phosphinic acid (PubChem CID 174844964) has the molecular formula C6H17N2O3P and a molecular weight of 196.19 g/mol. Its IUPAC name is butyl(1,2-diaminoethoxy)phosphinic acid.

Molecular Properties

Compound Namebutyl(1,2-diaminoethoxy)phosphinic acid
PubChem CID174844964
Molecular FormulaC6H17N2O3P
Molecular Weight196.19 g/mol
Exact Mass196.10
IUPAC Namebutyl(1,2-diaminoethoxy)phosphinic acid
SMILESCCCCP(=O)(O)OC(N)CN
InChIInChI=1S/C6H17N2O3P/c1-2-3-4-12(9,10)11-6(8)5-7/h6H,2-5,7-8H2,1H3,(H,9,10)
InChIKeyOKSLYZCWFUKRFZ-UHFFFAOYSA-N
XLogP0.23
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze butyl(1,2-diaminoethoxy)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-aminopropyl(butan-2-yloxy)phosphinic acid
CID 87168321
butylphosphonic acid;neodymium
CID 134499527
2-[butyl(hydroxy)phosphoryl]oxy-2-phenylacetic acid
CID 18472838
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
potassium;butylphosphonic acid;hydride
CID 174388690
4-aminobutyl(butan-2-yloxy)phosphinic acid;oxalic acid
CID 87765641
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
(3-amino-2-oxopropyl)-butylphosphinic acid;hydrobromide
CID 86746588
3-aminoheptadecylphosphonic acid
CID 10125861
decyl(methoxy)phosphinic acid
CID 54568982

Frequently Asked Questions

What is the IUPAC name of butyl(1,2-diaminoethoxy)phosphinic acid?
The IUPAC name of butyl(1,2-diaminoethoxy)phosphinic acid (CID 174844964) is butyl(1,2-diaminoethoxy)phosphinic acid.
What is the SMILES notation for butyl(1,2-diaminoethoxy)phosphinic acid?
The canonical SMILES for butyl(1,2-diaminoethoxy)phosphinic acid is CCCCP(=O)(O)OC(N)CN.
What is the InChIKey of butyl(1,2-diaminoethoxy)phosphinic acid?
The InChIKey is OKSLYZCWFUKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O3P/c1-2-3-4-12(9,10)11-6(8)5-7/h6H,2-5,7-8H2,1H3,(H,9,10).
What are the key properties of butyl(1,2-diaminoethoxy)phosphinic acid?
butyl(1,2-diaminoethoxy)phosphinic acid has a molecular weight of 196.19 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(1,2-diaminoethoxy)phosphinic acid is sourced from PubChem (CID 174844964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).