4-tert-butyl-N-(3-methylcyclohexyl)aniline

C17H27N — CID 43099749

IUPAC4-tert-butyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27N/c1-13-6-5-7-16(12-13)18-15-10-8-14(9-11-15)17(2,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyYBXJPXGYSJJUQA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.97
Rot. Bonds2

About 4-tert-butyl-N-(3-methylcyclohexyl)aniline

4-tert-butyl-N-(3-methylcyclohexyl)aniline (PubChem CID 43099749) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylcyclohexyl)aniline
PubChem CID43099749
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-tert-butyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H27N/c1-13-6-5-7-16(12-13)18-15-10-8-14(9-11-15)17(2,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyYBXJPXGYSJJUQA-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(3-methylcyclobutyl)aniline
CID 103560717
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
4-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455931
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
CID 43100372
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-tert-butyl-N-(3-methylcyclohexyl)aniline (CID 43099749) is 4-tert-butyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-tert-butyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is YBXJPXGYSJJUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-6-5-7-16(12-13)18-15-10-8-14(9-11-15)17(2,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-methylcyclohexyl)aniline?
4-tert-butyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 245.41 g/mol, XLogP of 4.97, 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-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43099749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).