3-dimethylphosphorylpropan-1-amine

C5H14NOP — CID 19763905

IUPAC3-dimethylphosphorylpropan-1-amine
SMILESCP(C)(=O)CCCN
InChIInChI=1S/C5H14NOP/c1-8(2,7)5-3-4-6/h3-6H2,1-2H3
InChIKeyDNJVEIOYHQNTSW-UHFFFAOYSA-N
MW135.15 g/mol
LogP0.96
Rot. Bonds3

About 3-dimethylphosphorylpropan-1-amine

3-dimethylphosphorylpropan-1-amine (PubChem CID 19763905) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is 3-dimethylphosphorylpropan-1-amine.

Molecular Properties

Compound Name3-dimethylphosphorylpropan-1-amine
PubChem CID19763905
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC Name3-dimethylphosphorylpropan-1-amine
SMILESCP(C)(=O)CCCN
InChIInChI=1S/C5H14NOP/c1-8(2,7)5-3-4-6/h3-6H2,1-2H3
InChIKeyDNJVEIOYHQNTSW-UHFFFAOYSA-N
XLogP0.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-dimethylphosphorylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphorylpropan-1-amine?
The IUPAC name of 3-dimethylphosphorylpropan-1-amine (CID 19763905) is 3-dimethylphosphorylpropan-1-amine.
What is the SMILES notation for 3-dimethylphosphorylpropan-1-amine?
The canonical SMILES for 3-dimethylphosphorylpropan-1-amine is CP(C)(=O)CCCN.
What is the InChIKey of 3-dimethylphosphorylpropan-1-amine?
The InChIKey is DNJVEIOYHQNTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NOP/c1-8(2,7)5-3-4-6/h3-6H2,1-2H3.
What are the key properties of 3-dimethylphosphorylpropan-1-amine?
3-dimethylphosphorylpropan-1-amine has a molecular weight of 135.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphorylpropan-1-amine is sourced from PubChem (CID 19763905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).