N-(diethoxyphosphorylmethyl)propan-2-amine

C8H20NO3P — CID 12633666

IUPACN-(diethoxyphosphorylmethyl)propan-2-amine
SMILESCCOP(=O)(CNC(C)C)OCC
InChIInChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)7-9-8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyFVSXDEGIMPAKHG-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.21
Rot. Bonds7

About N-(diethoxyphosphorylmethyl)propan-2-amine

N-(diethoxyphosphorylmethyl)propan-2-amine (PubChem CID 12633666) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)propan-2-amine
PubChem CID12633666
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC NameN-(diethoxyphosphorylmethyl)propan-2-amine
SMILESCCOP(=O)(CNC(C)C)OCC
InChIInChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)7-9-8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyFVSXDEGIMPAKHG-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-5-amino-4-(diethoxyphosphorylmethylamino)-5-oxopentanoic acid
CID 46931731
N-(diethoxyphosphorylmethyl)butan-1-amine
CID 2189462
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
(2S,5R)-6-amino-2-(diethoxyphosphorylmethylamino)-5-hydroxyhexanoic acid
CID 87478703
N-(diethoxyphosphorylmethyl)prop-2-en-1-amine
CID 5173430
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium
CID 90958490
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
1-diethoxyphosphoryl-2-methylhexan-3-one
CID 102517831
3-diethoxyphosphoryl-1,1-difluoropropan-2-amine
CID 102408421
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)propan-2-amine?
The IUPAC name of N-(diethoxyphosphorylmethyl)propan-2-amine (CID 12633666) is N-(diethoxyphosphorylmethyl)propan-2-amine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)propan-2-amine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)propan-2-amine is CCOP(=O)(CNC(C)C)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)propan-2-amine?
The InChIKey is FVSXDEGIMPAKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-5-11-13(10,12-6-2)7-9-8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(diethoxyphosphorylmethyl)propan-2-amine?
N-(diethoxyphosphorylmethyl)propan-2-amine has a molecular weight of 209.23 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)propan-2-amine is sourced from PubChem (CID 12633666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).