4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline

C18H29N — CID 64776351

IUPAC4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(C(C)(C)C)cc2)C(C)C1
InChIInChI=1S/C18H29N/c1-13-6-11-17(14(2)12-13)19-16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyVPLGVTRTHKGQAA-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.22
Rot. Bonds2

About 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline

4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline (PubChem CID 64776351) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
PubChem CID64776351
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(C(C)(C)C)cc2)C(C)C1
InChIInChI=1S/C18H29N/c1-13-6-11-17(14(2)12-13)19-16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyVPLGVTRTHKGQAA-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
4-chloro-N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64761788
5-N-(2,4-dimethylcyclohexyl)pyridine-2,5-diamine
CID 63995658
5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
CID 64761633
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
propyl 4-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64761592
2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 64762878
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline?
The IUPAC name of 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline (CID 64776351) is 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline is CC1CCC(Nc2ccc(C(C)(C)C)cc2)C(C)C1.
What is the InChIKey of 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline?
The InChIKey is VPLGVTRTHKGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-6-11-17(14(2)12-13)19-16-9-7-15(8-10-16)18(3,4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline?
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline has a molecular weight of 259.44 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline is sourced from PubChem (CID 64776351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).