4-diethoxyphosphanylbutan-1-amine

C8H20NO2P — CID 143917073

IUPAC4-diethoxyphosphanylbutan-1-amine
SMILESCCOP(CCCCN)OCC
InChIInChI=1S/C8H20NO2P/c1-3-10-12(11-4-2)8-6-5-7-9/h3-9H2,1-2H3
InChIKeyRKPGCPPFJIOFGF-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.11
Rot. Bonds8

About 4-diethoxyphosphanylbutan-1-amine

4-diethoxyphosphanylbutan-1-amine (PubChem CID 143917073) has the molecular formula C8H20NO2P and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-diethoxyphosphanylbutan-1-amine.

Molecular Properties

Compound Name4-diethoxyphosphanylbutan-1-amine
PubChem CID143917073
Molecular FormulaC8H20NO2P
Molecular Weight193.23 g/mol
Exact Mass193.12
IUPAC Name4-diethoxyphosphanylbutan-1-amine
SMILESCCOP(CCCCN)OCC
InChIInChI=1S/C8H20NO2P/c1-3-10-12(11-4-2)8-6-5-7-9/h3-9H2,1-2H3
InChIKeyRKPGCPPFJIOFGF-UHFFFAOYSA-N
XLogP2.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
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

diethoxy(pentyl)phosphane
CID 21107293
bis[[butyl(ethoxy)phosphanyl]oxy]alumanyloxy-butyl-ethoxyphosphane
CID 156788715
6-[ethoxy(oxazinan-2-yl)phosphanyl]hexan-1-amine
CID 143831632
pentan-1-amine;phosphane;sulfane
CID 174645981
2-aminoethyl 2-diethoxyphosphanylacetate
CID 155356816
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
hexane-1,6-diamine;methanamine
CID 174275715
tetramethylazanium;undecan-1-amine
CID 173140358
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphanylbutan-1-amine?
The IUPAC name of 4-diethoxyphosphanylbutan-1-amine (CID 143917073) is 4-diethoxyphosphanylbutan-1-amine.
What is the SMILES notation for 4-diethoxyphosphanylbutan-1-amine?
The canonical SMILES for 4-diethoxyphosphanylbutan-1-amine is CCOP(CCCCN)OCC.
What is the InChIKey of 4-diethoxyphosphanylbutan-1-amine?
The InChIKey is RKPGCPPFJIOFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO2P/c1-3-10-12(11-4-2)8-6-5-7-9/h3-9H2,1-2H3.
What are the key properties of 4-diethoxyphosphanylbutan-1-amine?
4-diethoxyphosphanylbutan-1-amine has a molecular weight of 193.23 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphanylbutan-1-amine is sourced from PubChem (CID 143917073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).