2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

C13H24N2O2 — CID 142388415

IUPAC2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCCCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O2/c1-3-4-7-14(2)10-13(16)15-8-11-5-6-12(9-15)17-11/h11-12H,3-10H2,1-2H3
InChIKeyPDNMFYGRDSKLQP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds5

About 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone

2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (PubChem CID 142388415) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
PubChem CID142388415
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
SMILESCCCCN(C)CC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C13H24N2O2/c1-3-4-7-14(2)10-13(16)15-8-11-5-6-12(9-15)17-11/h11-12H,3-10H2,1-2H3
InChIKeyPDNMFYGRDSKLQP-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone (CID 142388415) is 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is CCCCN(C)CC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
The InChIKey is PDNMFYGRDSKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-7-14(2)10-13(16)15-8-11-5-6-12(9-15)17-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone?
2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone is sourced from PubChem (CID 142388415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).