N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine

C13H28N2O — CID 104761939

IUPACN-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine
SMILESCCNC1CCN(CC(C)(C)OC)CC1C
InChIInChI=1S/C13H28N2O/c1-6-14-12-7-8-15(9-11(12)2)10-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyYEGUNJJVJIYAJM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine

N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine (PubChem CID 104761939) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine
PubChem CID104761939
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine
SMILESCCNC1CCN(CC(C)(C)OC)CC1C
InChIInChI=1S/C13H28N2O/c1-6-14-12-7-8-15(9-11(12)2)10-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyYEGUNJJVJIYAJM-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine (CID 104761939) is N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine is CCNC1CCN(CC(C)(C)OC)CC1C.
What is the InChIKey of N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine?
The InChIKey is YEGUNJJVJIYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-14-12-7-8-15(9-11(12)2)10-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine?
N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-2-methylpropyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 104761939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).