2-[amino(prop-2-enoxy)phosphanyl]oxypropane

C6H14NO2P — CID 174633536

IUPAC2-[amino(prop-2-enoxy)phosphanyl]oxypropane
SMILESC=CCOP(N)OC(C)C
InChIInChI=1S/C6H14NO2P/c1-4-5-8-10(7)9-6(2)3/h4,6H,1,5,7H2,2-3H3
InChIKeyBJIFMRUAOLSLQA-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.80
Rot. Bonds5

About 2-[amino(prop-2-enoxy)phosphanyl]oxypropane

2-[amino(prop-2-enoxy)phosphanyl]oxypropane (PubChem CID 174633536) has the molecular formula C6H14NO2P and a molecular weight of 163.16 g/mol. Its IUPAC name is 2-[amino(prop-2-enoxy)phosphanyl]oxypropane.

Molecular Properties

Compound Name2-[amino(prop-2-enoxy)phosphanyl]oxypropane
PubChem CID174633536
Molecular FormulaC6H14NO2P
Molecular Weight163.16 g/mol
Exact Mass163.08
IUPAC Name2-[amino(prop-2-enoxy)phosphanyl]oxypropane
SMILESC=CCOP(N)OC(C)C
InChIInChI=1S/C6H14NO2P/c1-4-5-8-10(7)9-6(2)3/h4,6H,1,5,7H2,2-3H3
InChIKeyBJIFMRUAOLSLQA-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-aminopropanoate
CID 91515395
CID 102351890
CID 102351890
prop-2-enyl 3-hydroxybutanoate
CID 14360290
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
CID 58877383
CID 58877383
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575
N-[ethoxy(prop-2-enoxy)phosphanyl]-N-methylpropan-2-amine
CID 134342670
prop-2-enyl (E)-5-methylhex-2-enoate
CID 87327194
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
2-methylpropyl prop-2-enyl carbonate
CID 6420250

Frequently Asked Questions

What is the IUPAC name of 2-[amino(prop-2-enoxy)phosphanyl]oxypropane?
The IUPAC name of 2-[amino(prop-2-enoxy)phosphanyl]oxypropane (CID 174633536) is 2-[amino(prop-2-enoxy)phosphanyl]oxypropane.
What is the SMILES notation for 2-[amino(prop-2-enoxy)phosphanyl]oxypropane?
The canonical SMILES for 2-[amino(prop-2-enoxy)phosphanyl]oxypropane is C=CCOP(N)OC(C)C.
What is the InChIKey of 2-[amino(prop-2-enoxy)phosphanyl]oxypropane?
The InChIKey is BJIFMRUAOLSLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2P/c1-4-5-8-10(7)9-6(2)3/h4,6H,1,5,7H2,2-3H3.
What are the key properties of 2-[amino(prop-2-enoxy)phosphanyl]oxypropane?
2-[amino(prop-2-enoxy)phosphanyl]oxypropane has a molecular weight of 163.16 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(prop-2-enoxy)phosphanyl]oxypropane is sourced from PubChem (CID 174633536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).