2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one

C16H27NO2 — CID 66369418

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CC3CCC(C2)O3)C1
InChIInChI=1S/C16H27NO2/c1-2-3-12-4-7-16(18)13(8-12)9-17-10-14-5-6-15(11-17)19-14/h12-15H,2-11H2,1H3
InChIKeyCNIZDQCWSXBXDC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds4

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one (PubChem CID 66369418) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one
PubChem CID66369418
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CC3CCC(C2)O3)C1
InChIInChI=1S/C16H27NO2/c1-2-3-12-4-7-16(18)13(8-12)9-17-10-14-5-6-15(11-17)19-14/h12-15H,2-11H2,1H3
InChIKeyCNIZDQCWSXBXDC-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 21544577
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 55093531
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094261
4-Ethyl-2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 55094734
4-Ethyl-2-[(2-ethylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 55094876
2-[(2,6-Dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106206
2-[(2-Methyl-1,4-oxazepan-4-yl)methyl]-4-propylcyclohexan-1-one
CID 55140172
2-[(2,6-Dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
CID 62612846
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one
CID 62612876
4-Ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612877
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612878
2-[(5-Ethyl-2-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
CID 62612891

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one (CID 66369418) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CC3CCC(C2)O3)C1.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one?
The InChIKey is CNIZDQCWSXBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-12-4-7-16(18)13(8-12)9-17-10-14-5-6-15(11-17)19-14/h12-15H,2-11H2,1H3.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one is sourced from PubChem (CID 66369418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).