N'-(2-dimethylphosphorylethyl)propane-1,3-diamine

C7H19N2OP — CID 59678789

IUPACN'-(2-dimethylphosphorylethyl)propane-1,3-diamine
SMILESCP(C)(=O)CCNCCCN
InChIInChI=1S/C7H19N2OP/c1-11(2,10)7-6-9-5-3-4-8/h9H,3-8H2,1-2H3
InChIKeyTULLLIVQLDMCKT-UHFFFAOYSA-N
MW178.22 g/mol
LogP0.55
Rot. Bonds6

About N'-(2-dimethylphosphorylethyl)propane-1,3-diamine

N'-(2-dimethylphosphorylethyl)propane-1,3-diamine (PubChem CID 59678789) has the molecular formula C7H19N2OP and a molecular weight of 178.22 g/mol. Its IUPAC name is N'-(2-dimethylphosphorylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-dimethylphosphorylethyl)propane-1,3-diamine
PubChem CID59678789
Molecular FormulaC7H19N2OP
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC NameN'-(2-dimethylphosphorylethyl)propane-1,3-diamine
SMILESCP(C)(=O)CCNCCCN
InChIInChI=1S/C7H19N2OP/c1-11(2,10)7-6-9-5-3-4-8/h9H,3-8H2,1-2H3
InChIKeyTULLLIVQLDMCKT-UHFFFAOYSA-N
XLogP0.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-dimethylphosphorylethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-dimethylphosphorylethyl)propane-1,3-diamine (CID 59678789) is N'-(2-dimethylphosphorylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-dimethylphosphorylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-dimethylphosphorylethyl)propane-1,3-diamine is CP(C)(=O)CCNCCCN.
What is the InChIKey of N'-(2-dimethylphosphorylethyl)propane-1,3-diamine?
The InChIKey is TULLLIVQLDMCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2OP/c1-11(2,10)7-6-9-5-3-4-8/h9H,3-8H2,1-2H3.
What are the key properties of N'-(2-dimethylphosphorylethyl)propane-1,3-diamine?
N'-(2-dimethylphosphorylethyl)propane-1,3-diamine has a molecular weight of 178.22 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-dimethylphosphorylethyl)propane-1,3-diamine is sourced from PubChem (CID 59678789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).