azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid

C10H31N3O6P2 — CID 138397294

IUPACazane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid
SMILESCCCCC(CC)CN(CP(=O)(O)O)CP(=O)(O)O.N.N
InChIInChI=1S/C10H25NO6P2.2H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);2*1H3
InChIKeyQHRUBDXIOFVCOS-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.10
Rot. Bonds10

About azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid

azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid (PubChem CID 138397294) has the molecular formula C10H31N3O6P2 and a molecular weight of 351.32 g/mol. Its IUPAC name is azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Nameazane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid
PubChem CID138397294
Molecular FormulaC10H31N3O6P2
Molecular Weight351.32 g/mol
Exact Mass351.17
IUPAC Nameazane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid
SMILESCCCCC(CC)CN(CP(=O)(O)O)CP(=O)(O)O.N.N
InChIInChI=1S/C10H25NO6P2.2H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);2*1H3
InChIKeyQHRUBDXIOFVCOS-UHFFFAOYSA-N
XLogP2.10
TPSA188.30 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.32
LogP ≤ 52.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[[bis(2-ethylhexyl)amino]methyl] hydrogen phosphate
CID 153353654
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid
CID 170846982
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
azane;[phosphonomethyl(propyl)amino]methylphosphonic acid
CID 138397255
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
2-ethylhexylphosphonic acid;hexadecylphosphonic acid
CID 88748715

Frequently Asked Questions

What is the IUPAC name of azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid?
The IUPAC name of azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid (CID 138397294) is azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid.
What is the SMILES notation for azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid?
The canonical SMILES for azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid is CCCCC(CC)CN(CP(=O)(O)O)CP(=O)(O)O.N.N.
What is the InChIKey of azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid?
The InChIKey is QHRUBDXIOFVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO6P2.2H3N/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17;;/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17);2*1H3.
What are the key properties of azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid?
azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid has a molecular weight of 351.32 g/mol, XLogP of 2.10, 10 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[2-ethylhexyl(phosphonomethyl)amino]methylphosphonic acid is sourced from PubChem (CID 138397294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).