N-(diethoxyphosphorylmethyl)prop-2-en-1-amine

C8H18NO3P — CID 5173430

IUPACN-(diethoxyphosphorylmethyl)prop-2-en-1-amine
SMILESC=CCNCP(=O)(OCC)OCC
InChIInChI=1S/C8H18NO3P/c1-4-7-9-8-13(10,11-5-2)12-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyKDYFFYCSRPXFSO-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.99
Rot. Bonds8

About N-(diethoxyphosphorylmethyl)prop-2-en-1-amine

N-(diethoxyphosphorylmethyl)prop-2-en-1-amine (PubChem CID 5173430) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)prop-2-en-1-amine
PubChem CID5173430
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC NameN-(diethoxyphosphorylmethyl)prop-2-en-1-amine
SMILESC=CCNCP(=O)(OCC)OCC
InChIInChI=1S/C8H18NO3P/c1-4-7-9-8-13(10,11-5-2)12-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyKDYFFYCSRPXFSO-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(diethoxyphosphorylmethylamino)methyl-methyl-methylidenephosphanium
CID 90958490
3-diethoxyphosphorylprop-1-ene
CID 573014
N-(diethoxyphosphorylmethyl)butan-1-amine
CID 2189462
N-(diethoxyphosphorylmethyl)propan-2-amine
CID 12633666
2-diethoxyphosphoryl-N-hex-5-enylacetamide
CID 102260976
N-(diethoxyphosphorylmethyl)-1-phenylmethanamine;hydrochloride
CID 23298000
diethoxyphosphorylmethyl prop-2-enyl carbonate
CID 23420194
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
ethoxy(prop-2-enyl)phosphinate
CID 71365133
N,N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
CID 87466801
phosphoric acid;N-prop-2-enyldodecan-1-amine
CID 174431091
N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
CID 2252018

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(diethoxyphosphorylmethyl)prop-2-en-1-amine (CID 5173430) is N-(diethoxyphosphorylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)prop-2-en-1-amine is C=CCNCP(=O)(OCC)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)prop-2-en-1-amine?
The InChIKey is KDYFFYCSRPXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3P/c1-4-7-9-8-13(10,11-5-2)12-6-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)prop-2-en-1-amine?
N-(diethoxyphosphorylmethyl)prop-2-en-1-amine has a molecular weight of 207.21 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 5173430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).