4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline

C18H32N2 — CID 139644719

IUPAC4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(C)(C)N(CC)CC)cc1
InChIInChI=1S/C18H32N2/c1-7-19(8-2)17-13-11-16(12-14-17)15-18(5,6)20(9-3)10-4/h11-14H,7-10,15H2,1-6H3
InChIKeyXPOAXEVGVPJGDR-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.20
Rot. Bonds8

About 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline

4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline (PubChem CID 139644719) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline
PubChem CID139644719
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(C)(C)N(CC)CC)cc1
InChIInChI=1S/C18H32N2/c1-7-19(8-2)17-13-11-16(12-14-17)15-18(5,6)20(9-3)10-4/h11-14H,7-10,15H2,1-6H3
InChIKeyXPOAXEVGVPJGDR-UHFFFAOYSA-N
XLogP4.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline?
The IUPAC name of 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline (CID 139644719) is 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline?
The canonical SMILES for 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline is CCN(CC)c1ccc(CC(C)(C)N(CC)CC)cc1.
What is the InChIKey of 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline?
The InChIKey is XPOAXEVGVPJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-19(8-2)17-13-11-16(12-14-17)15-18(5,6)20(9-3)10-4/h11-14H,7-10,15H2,1-6H3.
What are the key properties of 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline?
4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline is sourced from PubChem (CID 139644719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).