2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline

C25H36N2 — CID 146415906

IUPAC2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline
SMILESC/C(=N\c1ccccc1C(C)(C)C)C(C)(C)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C25H36N2/c1-18(26-21-16-12-10-14-19(21)23(2,3)4)25(8,9)27-22-17-13-11-15-20(22)24(5,6)7/h10-17,27H,1-9H3/b26-18+
InChIKeyRVUROXPGBRKQRO-NLRVBDNBSA-N
MW364.58 g/mol
LogP7.26
Rot. Bonds4

About 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline

2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline (PubChem CID 146415906) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline
PubChem CID146415906
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline
SMILESC/C(=N\c1ccccc1C(C)(C)C)C(C)(C)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C25H36N2/c1-18(26-21-16-12-10-14-19(21)23(2,3)4)25(8,9)27-22-17-13-11-15-20(22)24(5,6)7/h10-17,27H,1-9H3/b26-18+
InChIKeyRVUROXPGBRKQRO-NLRVBDNBSA-N
XLogP7.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)hydroxylamine;hydrochloride
CID 175259638
N-(2-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;carbanide;iron(2+)
CID 59100369
(2-tert-butylphenyl)hydrazine;hydrazine
CID 158362001
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
N-(2-tert-butylphenyl)-1-[4-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-1,3,5-triazin-2-yl]ethanimine;dichloroiron
CID 140654375
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
CID 62312755
2-tert-butyl-N-propylaniline
CID 39238556
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
CID 140748189
CID 175472927
CID 175472927
2-tert-butyl-N-pentan-3-ylaniline
CID 43682945

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline?
The IUPAC name of 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline (CID 146415906) is 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline?
The canonical SMILES for 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline is C/C(=N\c1ccccc1C(C)(C)C)C(C)(C)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline?
The InChIKey is RVUROXPGBRKQRO-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H36N2/c1-18(26-21-16-12-10-14-19(21)23(2,3)4)25(8,9)27-22-17-13-11-15-20(22)24(5,6)7/h10-17,27H,1-9H3/b26-18+.
What are the key properties of 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline?
2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline has a molecular weight of 364.58 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(2-tert-butylphenyl)imino-2-methylbutan-2-yl]aniline is sourced from PubChem (CID 146415906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).