azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid

C8H30N4O6P2 — CID 170846982

IUPACazane;[hexyl(phosphonomethyl)amino]methylphosphonic acid
SMILESCCCCCCN(CP(=O)(O)O)CP(=O)(O)O.N.N.N
InChIInChI=1S/C8H21NO6P2.3H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);3*1H3
InChIKeyFSFBGOFSUZDVLA-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.63
Rot. Bonds9

About azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid

azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid (PubChem CID 170846982) has the molecular formula C8H30N4O6P2 and a molecular weight of 340.30 g/mol. Its IUPAC name is azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Nameazane;[hexyl(phosphonomethyl)amino]methylphosphonic acid
PubChem CID170846982
Molecular FormulaC8H30N4O6P2
Molecular Weight340.30 g/mol
Exact Mass340.16
IUPAC Nameazane;[hexyl(phosphonomethyl)amino]methylphosphonic acid
SMILESCCCCCCN(CP(=O)(O)O)CP(=O)(O)O.N.N.N
InChIInChI=1S/C8H21NO6P2.3H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);3*1H3
InChIKeyFSFBGOFSUZDVLA-UHFFFAOYSA-N
XLogP1.63
TPSA223.30 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 51.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;[hexyl(phosphonomethyl)amino]methylphosphonic 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

azane;[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid
CID 170845455
[12-[bis(phosphonomethyl)amino]dodecyl-(phosphonomethyl)amino]methylphosphonic acid
CID 50906180
CID 170846760
CID 170846760
azane;[phosphonomethyl(propyl)amino]methylphosphonic acid
CID 138397255
[6-[bis(phosphonomethyl)amino]hexyl-[[hydroxy(methyl)phosphoryl]methyl]amino]methylphosphonic acid
CID 59414854
[4-(dimethylamino)butyl-(phosphonomethyl)amino]methylphosphonic acid
CID 20776526
tripotassium;[hexyl(phosphonatomethyl)amino]methyl-hydroxyphosphinate
CID 57356771
disodium;N,N-bis(phosphonatomethyl)octan-1-amine
CID 139594264
diazanium;N,N-bis(phosphonatomethyl)heptan-1-amine
CID 139595023
tetrakis(N,N-dioctyloctan-1-amine);phosphono dihydrogen phosphate
CID 173362239
tetraazanium;N,N-bis(phosphonatomethyl)dodecan-1-amine
CID 56841330
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759

Frequently Asked Questions

What is the IUPAC name of azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid?
The IUPAC name of azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid (CID 170846982) is azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid.
What is the SMILES notation for azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid?
The canonical SMILES for azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid is CCCCCCN(CP(=O)(O)O)CP(=O)(O)O.N.N.N.
What is the InChIKey of azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid?
The InChIKey is FSFBGOFSUZDVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO6P2.3H3N/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);3*1H3.
What are the key properties of azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid?
azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid has a molecular weight of 340.30 g/mol, XLogP of 1.63, 9 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[hexyl(phosphonomethyl)amino]methylphosphonic acid is sourced from PubChem (CID 170846982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).