2-dimethylphosphoryl-N-ethenylethanamine

C6H14NOP — CID 170130090

IUPAC2-dimethylphosphoryl-N-ethenylethanamine
SMILESC=CNCCP(C)(C)=O
InChIInChI=1S/C6H14NOP/c1-4-7-5-6-9(2,3)8/h4,7H,1,5-6H2,2-3H3
InChIKeyKZEWRRSXEPPKFH-UHFFFAOYSA-N
MW147.16 g/mol
LogP1.34
Rot. Bonds4

About 2-dimethylphosphoryl-N-ethenylethanamine

2-dimethylphosphoryl-N-ethenylethanamine (PubChem CID 170130090) has the molecular formula C6H14NOP and a molecular weight of 147.16 g/mol. Its IUPAC name is 2-dimethylphosphoryl-N-ethenylethanamine.

Molecular Properties

Compound Name2-dimethylphosphoryl-N-ethenylethanamine
PubChem CID170130090
Molecular FormulaC6H14NOP
Molecular Weight147.16 g/mol
Exact Mass147.08
IUPAC Name2-dimethylphosphoryl-N-ethenylethanamine
SMILESC=CNCCP(C)(C)=O
InChIInChI=1S/C6H14NOP/c1-4-7-5-6-9(2,3)8/h4,7H,1,5-6H2,2-3H3
InChIKeyKZEWRRSXEPPKFH-UHFFFAOYSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-dimethylphosphoryl-N-ethenylethanamine?
The IUPAC name of 2-dimethylphosphoryl-N-ethenylethanamine (CID 170130090) is 2-dimethylphosphoryl-N-ethenylethanamine.
What is the SMILES notation for 2-dimethylphosphoryl-N-ethenylethanamine?
The canonical SMILES for 2-dimethylphosphoryl-N-ethenylethanamine is C=CNCCP(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryl-N-ethenylethanamine?
The InChIKey is KZEWRRSXEPPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NOP/c1-4-7-5-6-9(2,3)8/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-dimethylphosphoryl-N-ethenylethanamine?
2-dimethylphosphoryl-N-ethenylethanamine has a molecular weight of 147.16 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-N-ethenylethanamine is sourced from PubChem (CID 170130090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).