2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline

C17H28N2 — CID 114597196

IUPAC2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
SMILESCc1ccccc1NCCN1CC(C)CC(C)C1C
InChIInChI=1S/C17H28N2/c1-13-11-15(3)16(4)19(12-13)10-9-18-17-8-6-5-7-14(17)2/h5-8,13,15-16,18H,9-12H2,1-4H3
InChIKeyPBOXQGFRAQJMLI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.77
Rot. Bonds4

About 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline

2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline (PubChem CID 114597196) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
PubChem CID114597196
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
SMILESCc1ccccc1NCCN1CC(C)CC(C)C1C
InChIInChI=1S/C17H28N2/c1-13-11-15(3)16(4)19(12-13)10-9-18-17-8-6-5-7-14(17)2/h5-8,13,15-16,18H,9-12H2,1-4H3
InChIKeyPBOXQGFRAQJMLI-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-2-methylaniline
CID 62560224
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
CID 63503063
N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-2-methylaniline
CID 62557391
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
CID 103540070
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62558638
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
CID 52908771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline (CID 114597196) is 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline is Cc1ccccc1NCCN1CC(C)CC(C)C1C.
What is the InChIKey of 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline?
The InChIKey is PBOXQGFRAQJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-11-15(3)16(4)19(12-13)10-9-18-17-8-6-5-7-14(17)2/h5-8,13,15-16,18H,9-12H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline?
2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 114597196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).