4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one

C15H28N2O2 — CID 66371217

IUPAC4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
SMILESCCCC(CCN)CCC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H28N2O2/c1-2-3-12(8-9-16)4-7-15(18)17-10-13-5-6-14(11-17)19-13/h12-14H,2-11,16H2,1H3
InChIKeyRLXWOUVDNPCWIF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds7

About 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one

4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one (PubChem CID 66371217) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
PubChem CID66371217
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
SMILESCCCC(CCN)CCC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H28N2O2/c1-2-3-12(8-9-16)4-7-15(18)17-10-13-5-6-14(11-17)19-13/h12-14H,2-11,16H2,1H3
InChIKeyRLXWOUVDNPCWIF-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one?
The IUPAC name of 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one (CID 66371217) is 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one is CCCC(CCN)CCC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one?
The InChIKey is RLXWOUVDNPCWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-3-12(8-9-16)4-7-15(18)17-10-13-5-6-14(11-17)19-13/h12-14H,2-11,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one?
4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one is sourced from PubChem (CID 66371217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).