[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid

C8H18N3O3P — CID 25127996

IUPAC[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid
SMILESCCN=C=NC(CCN(C)C)P(=O)(O)O
InChIInChI=1S/C8H18N3O3P/c1-4-9-7-10-8(15(12,13)14)5-6-11(2)3/h8H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyOBZKKKNSXASBJH-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.64
Rot. Bonds6

About [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid

[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid (PubChem CID 25127996) has the molecular formula C8H18N3O3P and a molecular weight of 235.22 g/mol. Its IUPAC name is [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid.

Molecular Properties

Compound Name[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid
PubChem CID25127996
Molecular FormulaC8H18N3O3P
Molecular Weight235.22 g/mol
Exact Mass235.11
IUPAC Name[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid
SMILESCCN=C=NC(CCN(C)C)P(=O)(O)O
InChIInChI=1S/C8H18N3O3P/c1-4-9-7-10-8(15(12,13)14)5-6-11(2)3/h8H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyOBZKKKNSXASBJH-UHFFFAOYSA-N
XLogP0.64
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]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

trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509
1-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 19969141
4-(dimethylamino)-2-ethyl-1-(hydroxymethyliminomethylideneamino)butan-1-ol
CID 176891881
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;3-(iminomethylideneamino)-N,N-dimethylpentan-1-amine
CID 158191301
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
[4-(dimethylamino)-1-hydroxybutyl]phosphonic acid
CID 173415427
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
CID 87433592
3-(ethyliminomethylideneamino)-3-(1-hydroxybenzotriazol-4-yl)-N,N-dimethylpropan-1-amine
CID 90344398
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid?
The IUPAC name of [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid (CID 25127996) is [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid.
What is the SMILES notation for [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid?
The canonical SMILES for [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid is CCN=C=NC(CCN(C)C)P(=O)(O)O.
What is the InChIKey of [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid?
The InChIKey is OBZKKKNSXASBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3O3P/c1-4-9-7-10-8(15(12,13)14)5-6-11(2)3/h8H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid?
[3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid has a molecular weight of 235.22 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1-(ethyliminomethylideneamino)propyl]phosphonic acid is sourced from PubChem (CID 25127996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).