N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline

C23H41N — CID 170193377

IUPACN,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(c1ccc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H41N/c1-13-23(11,12)24(22(8,9)10)19-15-14-17(20(2,3)4)16-18(19)21(5,6)7/h14-16H,13H2,1-12H3
InChIKeyXSXKXWDWALGKLP-UHFFFAOYSA-N
MW331.59 g/mol
LogP7.08
Rot. Bonds3

About N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline

N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 170193377) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound NameN,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline
PubChem CID170193377
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC NameN,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(c1ccc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H41N/c1-13-23(11,12)24(22(8,9)10)19-15-14-17(20(2,3)4)16-18(19)21(5,6)7/h14-16H,13H2,1-12H3
InChIKeyXSXKXWDWALGKLP-UHFFFAOYSA-N
XLogP7.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N,N,N',N'-Tetramethylbenzidine
CID 9702
Santoflex DD
CID 6965
N,N,2,4,6-Pentamethylbenzenamine
CID 139365
2,4,6-Tri-tert-butyl-N-methylaniline
CID 1556924
2,2,4,6-Tetramethyl-1,2-dihydroquinoline
CID 294062
n,n-Dimethyl-4-(1-phenylethenyl)aniline
CID 292243
4-(1,1-Dimethylethyl)-N,N-dimethylbenzenamine
CID 76199
2,6-Diisopropyl-N,N-dimethylaniline
CID 76198
3H-Indolium, 1-ethyl-2,3,3,5-tetramethyl-, iodide (1:1)
CID 110119
6-(3-Fluorophenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10825740

Frequently Asked Questions

What is the IUPAC name of N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline (CID 170193377) is N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(c1ccc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is XSXKXWDWALGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-13-23(11,12)24(22(8,9)10)19-15-14-17(20(2,3)4)16-18(19)21(5,6)7/h14-16H,13H2,1-12H3.
What are the key properties of N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline?
N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 331.59 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-tritert-butyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 170193377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).