ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

C14H26N2O3 — CID 62541011

IUPACethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)C1(NCCOC)CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2O3/c1-4-19-13(17)14(15-7-8-18-3)9-11-5-6-12(10-14)16(11)2/h11-12,15H,4-10H2,1-3H3
InChIKeyMAPNANAOXUHBOG-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds6

About ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 62541011) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID62541011
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)C1(NCCOC)CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2O3/c1-4-19-13(17)14(15-7-8-18-3)9-11-5-6-12(10-14)16(11)2/h11-12,15H,4-10H2,1-3H3
InChIKeyMAPNANAOXUHBOG-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate (CID 62541011) is ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate is CCOC(=O)C1(NCCOC)CC2CCC(C1)N2C.
What is the InChIKey of ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is MAPNANAOXUHBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-13(17)14(15-7-8-18-3)9-11-5-6-12(10-14)16(11)2/h11-12,15H,4-10H2,1-3H3.
What are the key properties of ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 62541011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).