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

C15H25N — CID 43682945

IUPAC2-tert-butyl-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-6-12(7-2)16-14-11-9-8-10-13(14)15(3,4)5/h8-12,16H,6-7H2,1-5H3
InChIKeyNPSAMPGSNUYGCP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.58
Rot. Bonds4

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

2-tert-butyl-N-pentan-3-ylaniline (PubChem CID 43682945) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-tert-butyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-tert-butyl-N-pentan-3-ylaniline
PubChem CID43682945
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-tert-butyl-N-pentan-3-ylaniline
SMILESCCC(CC)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-6-12(7-2)16-14-11-9-8-10-13(14)15(3,4)5/h8-12,16H,6-7H2,1-5H3
InChIKeyNPSAMPGSNUYGCP-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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Related Compounds

2-(pentan-3-ylamino)benzenethiol
CID 13416430
2-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43682932
2-tert-butyl-N-propylaniline
CID 39238556
methyl 2-(2-tert-butylanilino)butanoate
CID 113292387
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
N-(2-tert-butylphenyl)hydroxylamine;hydrochloride
CID 175259638
(2-tert-butylphenyl)hydrazine;hydrazine
CID 158362001
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
2-benzyl-N-pentan-3-ylaniline
CID 29272087

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-pentan-3-ylaniline?
The IUPAC name of 2-tert-butyl-N-pentan-3-ylaniline (CID 43682945) is 2-tert-butyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-tert-butyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-tert-butyl-N-pentan-3-ylaniline is CCC(CC)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-pentan-3-ylaniline?
The InChIKey is NPSAMPGSNUYGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-12(7-2)16-14-11-9-8-10-13(14)15(3,4)5/h8-12,16H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-N-pentan-3-ylaniline?
2-tert-butyl-N-pentan-3-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 2-tert-butyl-N-pentan-3-ylaniline is sourced from PubChem (CID 43682945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).