N-dibutoxyphosphanyl-N-ethylethanamine

C12H28NO2P — CID 12614123

IUPACN-dibutoxyphosphanyl-N-ethylethanamine
SMILESCCCCOP(OCCCC)N(CC)CC
InChIInChI=1S/C12H28NO2P/c1-5-9-11-14-16(13(7-3)8-4)15-12-10-6-2/h5-12H2,1-4H3
InChIKeyOXJXAKOELVUPDZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.19
Rot. Bonds11

About N-dibutoxyphosphanyl-N-ethylethanamine

N-dibutoxyphosphanyl-N-ethylethanamine (PubChem CID 12614123) has the molecular formula C12H28NO2P and a molecular weight of 249.33 g/mol. Its IUPAC name is N-dibutoxyphosphanyl-N-ethylethanamine.

Molecular Properties

Compound NameN-dibutoxyphosphanyl-N-ethylethanamine
PubChem CID12614123
Molecular FormulaC12H28NO2P
Molecular Weight249.33 g/mol
Exact Mass249.19
IUPAC NameN-dibutoxyphosphanyl-N-ethylethanamine
SMILESCCCCOP(OCCCC)N(CC)CC
InChIInChI=1S/C12H28NO2P/c1-5-9-11-14-16(13(7-3)8-4)15-12-10-6-2/h5-12H2,1-4H3
InChIKeyOXJXAKOELVUPDZ-UHFFFAOYSA-N
XLogP4.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dibutoxyphosphanyl-N-ethylpropan-2-amine
CID 89224647
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine
CID 14709745
dibutoxy(fluoro)phosphane
CID 15373704
dibutoxy(chloro)phosphane
CID 4231195
N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine
CID 13110582
chlororuthenium;tris(tributyl phosphite)
CID 173315437
pentyl dihydrogen phosphite;zinc
CID 88839337
didecyl hydrogen phosphite
CID 14151265
N-butoxy-N-methylmethanamine
CID 19988586
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293

Frequently Asked Questions

What is the IUPAC name of N-dibutoxyphosphanyl-N-ethylethanamine?
The IUPAC name of N-dibutoxyphosphanyl-N-ethylethanamine (CID 12614123) is N-dibutoxyphosphanyl-N-ethylethanamine.
What is the SMILES notation for N-dibutoxyphosphanyl-N-ethylethanamine?
The canonical SMILES for N-dibutoxyphosphanyl-N-ethylethanamine is CCCCOP(OCCCC)N(CC)CC.
What is the InChIKey of N-dibutoxyphosphanyl-N-ethylethanamine?
The InChIKey is OXJXAKOELVUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO2P/c1-5-9-11-14-16(13(7-3)8-4)15-12-10-6-2/h5-12H2,1-4H3.
What are the key properties of N-dibutoxyphosphanyl-N-ethylethanamine?
N-dibutoxyphosphanyl-N-ethylethanamine has a molecular weight of 249.33 g/mol, XLogP of 4.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibutoxyphosphanyl-N-ethylethanamine is sourced from PubChem (CID 12614123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).