[2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid

C8H20NO3P — CID 19773797

IUPAC[2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid
SMILESCNC(C(C)C)(C(C)C)P(=O)(O)O
InChIInChI=1S/C8H20NO3P/c1-6(2)8(9-5,7(3)4)13(10,11)12/h6-7,9H,1-5H3,(H2,10,11,12)
InChIKeyISCVLBLSSQYGCQ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.39
Rot. Bonds4

About [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid

[2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid (PubChem CID 19773797) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid
PubChem CID19773797
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC Name[2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid
SMILESCNC(C(C)C)(C(C)C)P(=O)(O)O
InChIInChI=1S/C8H20NO3P/c1-6(2)8(9-5,7(3)4)13(10,11)12/h6-7,9H,1-5H3,(H2,10,11,12)
InChIKeyISCVLBLSSQYGCQ-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic 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-ethyl-2-methylpentan-3-yl)phosphonic acid
CID 71437145
[2-(1-aminoethoxy)-3-methylbutan-2-yl]phosphonic acid
CID 173067047
1,1-difluoroethylphosphonic acid
CID 23183684
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
2-(methylamino)-2-phosphonoacetic acid
CID 89177794
(2-methyl-3-propan-2-ylheptan-3-yl)phosphonic acid
CID 174818285
(3-cyano-2,4-dimethylpentan-3-yl) dihydrogen phosphate
CID 87592486
CID 131878072
CID 131878072
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
methyl(2,2,3-trimethylbutyl)phosphinic acid
CID 54072016
[1-hydroxy-3-imino-4-(methylamino)-1-phosphonopentyl]phosphonic acid
CID 57305656

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid?
The IUPAC name of [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid (CID 19773797) is [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid.
What is the SMILES notation for [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid?
The canonical SMILES for [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid is CNC(C(C)C)(C(C)C)P(=O)(O)O.
What is the InChIKey of [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid?
The InChIKey is ISCVLBLSSQYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-6(2)8(9-5,7(3)4)13(10,11)12/h6-7,9H,1-5H3,(H2,10,11,12).
What are the key properties of [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid?
[2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid has a molecular weight of 209.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-3-(methylamino)pentan-3-yl]phosphonic acid is sourced from PubChem (CID 19773797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).