2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline

C15H24N2 — CID 114286431

IUPAC2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline
SMILESCCC1CCC(C)N(c2cc(C)ccc2N)C1
InChIInChI=1S/C15H24N2/c1-4-13-7-6-12(3)17(10-13)15-9-11(2)5-8-14(15)16/h5,8-9,12-13H,4,6-7,10,16H2,1-3H3
InChIKeyXFMXBVDPKFOVCS-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds2

About 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline

2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline (PubChem CID 114286431) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline
PubChem CID114286431
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline
SMILESCCC1CCC(C)N(c2cc(C)ccc2N)C1
InChIInChI=1S/C15H24N2/c1-4-13-7-6-12(3)17(10-13)15-9-11(2)5-8-14(15)16/h5,8-9,12-13H,4,6-7,10,16H2,1-3H3
InChIKeyXFMXBVDPKFOVCS-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-methylazetidin-1-yl)aniline
CID 112557819
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylaniline
CID 115558866
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylaniline
CID 82747611
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
2-(3-tert-butylazetidin-1-yl)-4-methylaniline
CID 112557821
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione
CID 112557668
1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055090
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)aniline
CID 83218584

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline?
The IUPAC name of 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline (CID 114286431) is 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline.
What is the SMILES notation for 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline?
The canonical SMILES for 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline is CCC1CCC(C)N(c2cc(C)ccc2N)C1.
What is the InChIKey of 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline?
The InChIKey is XFMXBVDPKFOVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13-7-6-12(3)17(10-13)15-9-11(2)5-8-14(15)16/h5,8-9,12-13H,4,6-7,10,16H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline?
2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpiperidin-1-yl)-4-methylaniline is sourced from PubChem (CID 114286431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).