2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine

C12H26NO3P — CID 132991854

IUPAC2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine
SMILESCCCN1CCCC1CP(=O)(OCC)OCC
InChIInChI=1S/C12H26NO3P/c1-4-9-13-10-7-8-12(13)11-17(14,15-5-2)16-6-3/h12H,4-11H2,1-3H3
InChIKeyNHCNZBBDMRBDHS-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.13
Rot. Bonds8

About 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine

2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine (PubChem CID 132991854) has the molecular formula C12H26NO3P and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine
PubChem CID132991854
Molecular FormulaC12H26NO3P
Molecular Weight263.32 g/mol
Exact Mass263.17
IUPAC Name2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine
SMILESCCCN1CCCC1CP(=O)(OCC)OCC
InChIInChI=1S/C12H26NO3P/c1-4-9-13-10-7-8-12(13)11-17(14,15-5-2)16-6-3/h12H,4-11H2,1-3H3
InChIKeyNHCNZBBDMRBDHS-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
2-but-3-enyl-1-propylpyrrolidine
CID 155306373
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
1-(diethoxyphosphorylmethyl)azepane
CID 2251936
1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
CID 174654202
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 103857735
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine?
The IUPAC name of 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine (CID 132991854) is 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine is CCCN1CCCC1CP(=O)(OCC)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine?
The InChIKey is NHCNZBBDMRBDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO3P/c1-4-9-13-10-7-8-12(13)11-17(14,15-5-2)16-6-3/h12H,4-11H2,1-3H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine?
2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine has a molecular weight of 263.32 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine is sourced from PubChem (CID 132991854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).