2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline

C17H27N — CID 113489744

IUPAC2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
SMILESCC(CC1CCC1)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H27N/c1-13(12-14-8-7-9-14)18-16-11-6-5-10-15(16)17(2,3)4/h5-6,10-11,13-14,18H,7-9,12H2,1-4H3
InChIKeyMZGAWFHXCVPQIZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.97
Rot. Bonds4

About 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline

2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline (PubChem CID 113489744) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
PubChem CID113489744
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline
SMILESCC(CC1CCC1)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H27N/c1-13(12-14-8-7-9-14)18-16-11-6-5-10-15(16)17(2,3)4/h5-6,10-11,13-14,18H,7-9,12H2,1-4H3
InChIKeyMZGAWFHXCVPQIZ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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CID 113489674
N-(1-cyclopentylpropan-2-yl)aniline
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2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N-(1-cyclobutylpropan-2-yl)-2-propan-2-yloxypyridin-3-amine
CID 113489848
N-(1-cyclobutylpropan-2-yl)-2,3,4-trifluoroaniline
CID 113489683
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline?
The IUPAC name of 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline (CID 113489744) is 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline?
The canonical SMILES for 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline is CC(CC1CCC1)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline?
The InChIKey is MZGAWFHXCVPQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(12-14-8-7-9-14)18-16-11-6-5-10-15(16)17(2,3)4/h5-6,10-11,13-14,18H,7-9,12H2,1-4H3.
What are the key properties of 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline?
2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline has a molecular weight of 245.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-cyclobutylpropan-2-yl)aniline is sourced from PubChem (CID 113489744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).