2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline

C23H32N2 — CID 102367216

IUPAC2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
SMILESC/C(CC(C)Nc1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C
InChIInChI=1S/C23H32N2/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6/h9-12,20,24H,13H2,1-8H3/b25-21+
InChIKeyRQUPHPXHJRLKMJ-NJNXFGOHSA-N
MW336.52 g/mol
LogP6.52
Rot. Bonds5

About 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline

2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline (PubChem CID 102367216) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
PubChem CID102367216
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
SMILESC/C(CC(C)Nc1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C
InChIInChI=1S/C23H32N2/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6/h9-12,20,24H,13H2,1-8H3/b25-21+
InChIKeyRQUPHPXHJRLKMJ-NJNXFGOHSA-N
XLogP6.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.52
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

3-(2,4,6-trimethylanilino)butanethioamide
CID 82083745
2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
1-N,2-N-bis(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 20512413
1-(2,4,6-trimethylanilino)ethanol
CID 160916728
1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
CID 5246161
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
N-(2,4,6-trimethylphenyl)pentan-3-imine
CID 45096866
3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide
CID 102233821
N-(dicyclopropylmethyl)-2,4,6-trimethylaniline
CID 54861632
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
(2S)-2-(2,4,6-trimethylanilino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 141280182

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline (CID 102367216) is 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline is C/C(CC(C)Nc1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C.
What is the InChIKey of 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline?
The InChIKey is RQUPHPXHJRLKMJ-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H32N2/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6/h9-12,20,24H,13H2,1-8H3/b25-21+.
What are the key properties of 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline?
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline has a molecular weight of 336.52 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline is sourced from PubChem (CID 102367216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).