3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C15H26N2O2 — CID 66370717

IUPAC3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESNC1CCC(CCC(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C15H26N2O2/c16-12-4-1-11(2-5-12)3-8-15(18)17-9-13-6-7-14(10-17)19-13/h11-14H,1-10,16H2
InChIKeyUCTFJPXYPAWMNX-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.67
Rot. Bonds3

About 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 66370717) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID66370717
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESNC1CCC(CCC(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C15H26N2O2/c16-12-4-1-11(2-5-12)3-8-15(18)17-9-13-6-7-14(10-17)19-13/h11-14H,1-10,16H2
InChIKeyUCTFJPXYPAWMNX-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one with MolForge

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Related Compounds

4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 66370433
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
CID 66372384
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735
3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
CID 55116609
1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
CID 103575919
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 55116653
3-(4-aminocyclohexyl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 62781510
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
3-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371606
2-[3-(4-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858604
4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
CID 66371217
3-(4-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769674

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 66370717) is 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is NC1CCC(CCC(=O)N2CC3CCC(C2)O3)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is UCTFJPXYPAWMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-12-4-1-11(2-5-12)3-8-15(18)17-9-13-6-7-14(10-17)19-13/h11-14H,1-10,16H2.
What are the key properties of 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 66370717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).