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

C15H23N — CID 103560717

IUPAC4-tert-butyl-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C15H23N/c1-11-9-14(10-11)16-13-7-5-12(6-8-13)15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyLKCNKYUMPYLCOD-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.19
Rot. Bonds2

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

4-tert-butyl-N-(3-methylcyclobutyl)aniline (PubChem CID 103560717) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylcyclobutyl)aniline
PubChem CID103560717
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-tert-butyl-N-(3-methylcyclobutyl)aniline
SMILESCC1CC(Nc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C15H23N/c1-11-9-14(10-11)16-13-7-5-12(6-8-13)15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3
InChIKeyLKCNKYUMPYLCOD-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
4-[(3,5-dimethylcyclohexyl)amino]phenol
CID 64752586
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
4-tert-butyl-N-(2,4-dimethylcyclohexyl)aniline
CID 64776351
[3-(4-tert-butylanilino)cyclobutyl] carbamate
CID 175562231
3,4-difluoro-N-(3-methylcyclobutyl)aniline
CID 104860122
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
2-[4-[(3-methylcyclobutyl)amino]phenyl]acetonitrile
CID 104862583
4-[(dimethylamino)methyl]-N-(3,5-dimethylcyclohexyl)aniline
CID 64753180

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 4-tert-butyl-N-(3-methylcyclobutyl)aniline (CID 103560717) is 4-tert-butyl-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(3-methylcyclobutyl)aniline is CC1CC(Nc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-tert-butyl-N-(3-methylcyclobutyl)aniline?
The InChIKey is LKCNKYUMPYLCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-9-14(10-11)16-13-7-5-12(6-8-13)15(2,3)4/h5-8,11,14,16H,9-10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(3-methylcyclobutyl)aniline?
4-tert-butyl-N-(3-methylcyclobutyl)aniline has a molecular weight of 217.36 g/mol, XLogP of 4.19, 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-methylcyclobutyl)aniline is sourced from PubChem (CID 103560717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).