3-tert-butyl-N-pentan-2-ylaniline

C15H25N — CID 175117578

IUPAC3-tert-butyl-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-6-8-12(2)16-14-10-7-9-13(11-14)15(3,4)5/h7,9-12,16H,6,8H2,1-5H3
InChIKeyZMHVALMBHLSRSC-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.58
Rot. Bonds4

About 3-tert-butyl-N-pentan-2-ylaniline

3-tert-butyl-N-pentan-2-ylaniline (PubChem CID 175117578) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-tert-butyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name3-tert-butyl-N-pentan-2-ylaniline
PubChem CID175117578
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-tert-butyl-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-6-8-12(2)16-14-10-7-9-13(11-14)15(3,4)5/h7,9-12,16H,6,8H2,1-5H3
InChIKeyZMHVALMBHLSRSC-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-pentan-2-ylaniline?
The IUPAC name of 3-tert-butyl-N-pentan-2-ylaniline (CID 175117578) is 3-tert-butyl-N-pentan-2-ylaniline.
What is the SMILES notation for 3-tert-butyl-N-pentan-2-ylaniline?
The canonical SMILES for 3-tert-butyl-N-pentan-2-ylaniline is CCCC(C)Nc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N-pentan-2-ylaniline?
The InChIKey is ZMHVALMBHLSRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-8-12(2)16-14-10-7-9-13(11-14)15(3,4)5/h7,9-12,16H,6,8H2,1-5H3.
What are the key properties of 3-tert-butyl-N-pentan-2-ylaniline?
3-tert-butyl-N-pentan-2-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-pentan-2-ylaniline is sourced from PubChem (CID 175117578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).