4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine

C17H29N — CID 65306070

IUPAC4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCc1ccc(CC)c(CCC(C)(C)CNC)c1
InChIInChI=1S/C17H29N/c1-6-14-8-9-15(7-2)16(12-14)10-11-17(3,4)13-18-5/h8-9,12,18H,6-7,10-11,13H2,1-5H3
InChIKeyGULFSBZQEHEZJL-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.99
Rot. Bonds7

About 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine

4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 65306070) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID65306070
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCc1ccc(CC)c(CCC(C)(C)CNC)c1
InChIInChI=1S/C17H29N/c1-6-14-8-9-15(7-2)16(12-14)10-11-17(3,4)13-18-5/h8-9,12,18H,6-7,10-11,13H2,1-5H3
InChIKeyGULFSBZQEHEZJL-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine (CID 65306070) is 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine is CCc1ccc(CC)c(CCC(C)(C)CNC)c1.
What is the InChIKey of 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is GULFSBZQEHEZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-14-8-9-15(7-2)16(12-14)10-11-17(3,4)13-18-5/h8-9,12,18H,6-7,10-11,13H2,1-5H3.
What are the key properties of 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine?
4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 65306070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).