2-[ethyl(methyl)phosphoryl]-N-methylethanamine

C6H16NOP — CID 174243020

IUPAC2-[ethyl(methyl)phosphoryl]-N-methylethanamine
SMILESCCP(C)(=O)CCNC
InChIInChI=1S/C6H16NOP/c1-4-9(3,8)6-5-7-2/h7H,4-6H2,1-3H3
InChIKeyIRQPEZDISIWHLI-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.22
Rot. Bonds4

About 2-[ethyl(methyl)phosphoryl]-N-methylethanamine

2-[ethyl(methyl)phosphoryl]-N-methylethanamine (PubChem CID 174243020) has the molecular formula C6H16NOP and a molecular weight of 149.17 g/mol. Its IUPAC name is 2-[ethyl(methyl)phosphoryl]-N-methylethanamine.

Molecular Properties

Compound Name2-[ethyl(methyl)phosphoryl]-N-methylethanamine
PubChem CID174243020
Molecular FormulaC6H16NOP
Molecular Weight149.17 g/mol
Exact Mass149.10
IUPAC Name2-[ethyl(methyl)phosphoryl]-N-methylethanamine
SMILESCCP(C)(=O)CCNC
InChIInChI=1S/C6H16NOP/c1-4-9(3,8)6-5-7-2/h7H,4-6H2,1-3H3
InChIKeyIRQPEZDISIWHLI-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)phosphoryl]-N-methylethanamine?
The IUPAC name of 2-[ethyl(methyl)phosphoryl]-N-methylethanamine (CID 174243020) is 2-[ethyl(methyl)phosphoryl]-N-methylethanamine.
What is the SMILES notation for 2-[ethyl(methyl)phosphoryl]-N-methylethanamine?
The canonical SMILES for 2-[ethyl(methyl)phosphoryl]-N-methylethanamine is CCP(C)(=O)CCNC.
What is the InChIKey of 2-[ethyl(methyl)phosphoryl]-N-methylethanamine?
The InChIKey is IRQPEZDISIWHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NOP/c1-4-9(3,8)6-5-7-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-[ethyl(methyl)phosphoryl]-N-methylethanamine?
2-[ethyl(methyl)phosphoryl]-N-methylethanamine has a molecular weight of 149.17 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)phosphoryl]-N-methylethanamine is sourced from PubChem (CID 174243020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).