N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine

C9H22NO3P — CID 86037664

IUPACN-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(OC)OCC
InChIInChI=1S/C9H22NO3P/c1-5-8-10(9-6-2)14(11,12-4)13-7-3/h5-9H2,1-4H3
InChIKeyGLNRWYJYDHSVQX-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.90
Rot. Bonds8

About N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine

N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine (PubChem CID 86037664) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
PubChem CID86037664
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC NameN-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
SMILESCCCN(CCC)P(=O)(OC)OCC
InChIInChI=1S/C9H22NO3P/c1-5-8-10(9-6-2)14(11,12-4)13-7-3/h5-9H2,1-4H3
InChIKeyGLNRWYJYDHSVQX-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.90
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-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine?
The IUPAC name of N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine (CID 86037664) is N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine?
The canonical SMILES for N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine is CCCN(CCC)P(=O)(OC)OCC.
What is the InChIKey of N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine?
The InChIKey is GLNRWYJYDHSVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-5-8-10(9-6-2)14(11,12-4)13-7-3/h5-9H2,1-4H3.
What are the key properties of N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine?
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine has a molecular weight of 223.25 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine is sourced from PubChem (CID 86037664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).