acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane

C20H40NOP — CID 143122618

IUPACacetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane
SMILESCC=O.CCC.CCCCPC.CCc1cc(C)cc(C)c1N
InChIInChI=1S/C10H15N.C5H13P.C3H8.C2H4O/c1-4-9-6-7(2)5-8(3)10(9)11;1-3-4-5-6-2;1-3-2;1-2-3/h5-6H,4,11H2,1-3H3;6H,3-5H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyNIMZQXWXFQXERN-UHFFFAOYSA-N
MW341.52 g/mol
LogP6.16
Rot. Bonds4

About acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane

acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane (PubChem CID 143122618) has the molecular formula C20H40NOP and a molecular weight of 341.52 g/mol. Its IUPAC name is acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane.

Molecular Properties

Compound Nameacetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane
PubChem CID143122618
Molecular FormulaC20H40NOP
Molecular Weight341.52 g/mol
Exact Mass341.28
IUPAC Nameacetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane
SMILESCC=O.CCC.CCCCPC.CCc1cc(C)cc(C)c1N
InChIInChI=1S/C10H15N.C5H13P.C3H8.C2H4O/c1-4-9-6-7(2)5-8(3)10(9)11;1-3-4-5-6-2;1-3-2;1-2-3/h5-6H,4,11H2,1-3H3;6H,3-5H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyNIMZQXWXFQXERN-UHFFFAOYSA-N
XLogP6.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane?
The IUPAC name of acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane (CID 143122618) is acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane.
What is the SMILES notation for acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane?
The canonical SMILES for acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane is CC=O.CCC.CCCCPC.CCc1cc(C)cc(C)c1N.
What is the InChIKey of acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane?
The InChIKey is NIMZQXWXFQXERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C5H13P.C3H8.C2H4O/c1-4-9-6-7(2)5-8(3)10(9)11;1-3-4-5-6-2;1-3-2;1-2-3/h5-6H,4,11H2,1-3H3;6H,3-5H2,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane?
acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane has a molecular weight of 341.52 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;butyl(methyl)phosphane;2-ethyl-4,6-dimethylaniline;propane is sourced from PubChem (CID 143122618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).