2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one

C14H28N2O — CID 114290679

IUPAC2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC1(C)CCN(C(=O)C(C)(CC)CN)CC1
InChIInChI=1S/C14H28N2O/c1-5-13(3)7-9-16(10-8-13)12(17)14(4,6-2)11-15/h5-11,15H2,1-4H3
InChIKeyIMDONLKADIKXHM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds4

About 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one

2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one (PubChem CID 114290679) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
PubChem CID114290679
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC1(C)CCN(C(=O)C(C)(CC)CN)CC1
InChIInChI=1S/C14H28N2O/c1-5-13(3)7-9-16(10-8-13)12(17)14(4,6-2)11-15/h5-11,15H2,1-4H3
InChIKeyIMDONLKADIKXHM-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62734025
2-(aminomethyl)-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 114290672
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 118447158
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
CID 114290751
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
1-[2-(aminomethyl)-2-methylbutanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597337
N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
CID 102736157
N,4-diethyl-N,4-dimethylpiperidine-1-carboxamide
CID 116655856
(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
CID 144942226
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
CID 103531981
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one (CID 114290679) is 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one is CCC1(C)CCN(C(=O)C(C)(CC)CN)CC1.
What is the InChIKey of 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
The InChIKey is IMDONLKADIKXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-13(3)7-9-16(10-8-13)12(17)14(4,6-2)11-15/h5-11,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 114290679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).