2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine

C13H28N2O — CID 107391280

IUPAC2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
SMILESCCC(CC)(CN)N1CCCC(C)(OC)C1
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,10-14)15-9-7-8-12(3,11-15)16-4/h5-11,14H2,1-4H3
InChIKeyHGEMWUYVMWHEEH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.00
Rot. Bonds5

About 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine

2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine (PubChem CID 107391280) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
PubChem CID107391280
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
SMILESCCC(CC)(CN)N1CCCC(C)(OC)C1
InChIInChI=1S/C13H28N2O/c1-5-13(6-2,10-14)15-9-7-8-12(3,11-15)16-4/h5-11,14H2,1-4H3
InChIKeyHGEMWUYVMWHEEH-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbutan-1-amine
CID 107391081
2-cyclopropyl-3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107391339
2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391216
[1-(3-methoxy-3-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 107391366
[1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 107391361
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
N'-ethyl-3-methoxy-3-methylpiperidine-1-carboximidamide
CID 107393146
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
N'-hydroxy-2-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide
CID 107392874
N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 107395092
2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 62988989
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine (CID 107391280) is 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine is CCC(CC)(CN)N1CCCC(C)(OC)C1.
What is the InChIKey of 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is HGEMWUYVMWHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(6-2,10-14)15-9-7-8-12(3,11-15)16-4/h5-11,14H2,1-4H3.
What are the key properties of 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine?
2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 107391280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).