N-[methoxy(propoxy)phosphoryl]-N-methylethanamine

C7H18NO3P — CID 170850985

IUPACN-[methoxy(propoxy)phosphoryl]-N-methylethanamine
SMILESCCCOP(=O)(OC)N(C)CC
InChIInChI=1S/C7H18NO3P/c1-5-7-11-12(9,10-4)8(3)6-2/h5-7H2,1-4H3
InChIKeyXGGHLSUSXBCBNX-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.12
Rot. Bonds6

About N-[methoxy(propoxy)phosphoryl]-N-methylethanamine

N-[methoxy(propoxy)phosphoryl]-N-methylethanamine (PubChem CID 170850985) has the molecular formula C7H18NO3P and a molecular weight of 195.20 g/mol. Its IUPAC name is N-[methoxy(propoxy)phosphoryl]-N-methylethanamine.

Molecular Properties

Compound NameN-[methoxy(propoxy)phosphoryl]-N-methylethanamine
PubChem CID170850985
Molecular FormulaC7H18NO3P
Molecular Weight195.20 g/mol
Exact Mass195.10
IUPAC NameN-[methoxy(propoxy)phosphoryl]-N-methylethanamine
SMILESCCCOP(=O)(OC)N(C)CC
InChIInChI=1S/C7H18NO3P/c1-5-7-11-12(9,10-4)8(3)6-2/h5-7H2,1-4H3
InChIKeyXGGHLSUSXBCBNX-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[methoxy(propoxy)phosphoryl]-N-methylethanamine?
The IUPAC name of N-[methoxy(propoxy)phosphoryl]-N-methylethanamine (CID 170850985) is N-[methoxy(propoxy)phosphoryl]-N-methylethanamine.
What is the SMILES notation for N-[methoxy(propoxy)phosphoryl]-N-methylethanamine?
The canonical SMILES for N-[methoxy(propoxy)phosphoryl]-N-methylethanamine is CCCOP(=O)(OC)N(C)CC.
What is the InChIKey of N-[methoxy(propoxy)phosphoryl]-N-methylethanamine?
The InChIKey is XGGHLSUSXBCBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3P/c1-5-7-11-12(9,10-4)8(3)6-2/h5-7H2,1-4H3.
What are the key properties of N-[methoxy(propoxy)phosphoryl]-N-methylethanamine?
N-[methoxy(propoxy)phosphoryl]-N-methylethanamine has a molecular weight of 195.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy(propoxy)phosphoryl]-N-methylethanamine is sourced from PubChem (CID 170850985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).