[bis(propan-2-ylamino)amino]phosphonous acid

C6H18N3O2P — CID 149152743

IUPAC[bis(propan-2-ylamino)amino]phosphonous acid
SMILESCC(C)NN(NC(C)C)P(O)O
InChIInChI=1S/C6H18N3O2P/c1-5(2)7-9(12(10)11)8-6(3)4/h5-8,10-11H,1-4H3
InChIKeyVSKUYHGGCAYXBP-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.33
Rot. Bonds5

About [bis(propan-2-ylamino)amino]phosphonous acid

[bis(propan-2-ylamino)amino]phosphonous acid (PubChem CID 149152743) has the molecular formula C6H18N3O2P and a molecular weight of 195.20 g/mol. Its IUPAC name is [bis(propan-2-ylamino)amino]phosphonous acid.

Molecular Properties

Compound Name[bis(propan-2-ylamino)amino]phosphonous acid
PubChem CID149152743
Molecular FormulaC6H18N3O2P
Molecular Weight195.20 g/mol
Exact Mass195.11
IUPAC Name[bis(propan-2-ylamino)amino]phosphonous acid
SMILESCC(C)NN(NC(C)C)P(O)O
InChIInChI=1S/C6H18N3O2P/c1-5(2)7-9(12(10)11)8-6(3)4/h5-8,10-11H,1-4H3
InChIKeyVSKUYHGGCAYXBP-UHFFFAOYSA-N
XLogP0.33
TPSA67.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(propan-2-ylamino)amino]phosphonous acid?
The IUPAC name of [bis(propan-2-ylamino)amino]phosphonous acid (CID 149152743) is [bis(propan-2-ylamino)amino]phosphonous acid.
What is the SMILES notation for [bis(propan-2-ylamino)amino]phosphonous acid?
The canonical SMILES for [bis(propan-2-ylamino)amino]phosphonous acid is CC(C)NN(NC(C)C)P(O)O.
What is the InChIKey of [bis(propan-2-ylamino)amino]phosphonous acid?
The InChIKey is VSKUYHGGCAYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3O2P/c1-5(2)7-9(12(10)11)8-6(3)4/h5-8,10-11H,1-4H3.
What are the key properties of [bis(propan-2-ylamino)amino]phosphonous acid?
[bis(propan-2-ylamino)amino]phosphonous acid has a molecular weight of 195.20 g/mol, XLogP of 0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(propan-2-ylamino)amino]phosphonous acid is sourced from PubChem (CID 149152743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).