3-methyl-N-pentan-3-yl-4-propan-2-ylaniline

C15H25N — CID 20563831

IUPAC3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
SMILESCCC(CC)Nc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-6-13(7-2)16-14-8-9-15(11(3)4)12(5)10-14/h8-11,13,16H,6-7H2,1-5H3
InChIKeyJEFIHWHTGFURPR-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.72
Rot. Bonds5

About 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline

3-methyl-N-pentan-3-yl-4-propan-2-ylaniline (PubChem CID 20563831) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline.

Molecular Properties

Compound Name3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
PubChem CID20563831
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
SMILESCCC(CC)Nc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-6-13(7-2)16-14-8-9-15(11(3)4)12(5)10-14/h8-11,13,16H,6-7H2,1-5H3
InChIKeyJEFIHWHTGFURPR-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline?
The IUPAC name of 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline (CID 20563831) is 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline.
What is the SMILES notation for 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline?
The canonical SMILES for 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline is CCC(CC)Nc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline?
The InChIKey is JEFIHWHTGFURPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-13(7-2)16-14-8-9-15(11(3)4)12(5)10-14/h8-11,13,16H,6-7H2,1-5H3.
What are the key properties of 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline?
3-methyl-N-pentan-3-yl-4-propan-2-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentan-3-yl-4-propan-2-ylaniline is sourced from PubChem (CID 20563831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).