8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C16H30N2O — CID 83039128

IUPAC8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC1(CC)CC(N2C3CCC2CC(N)C3)CCO1
InChIInChI=1S/C16H30N2O/c1-3-16(4-2)11-15(7-8-19-16)18-13-5-6-14(18)10-12(17)9-13/h12-15H,3-11,17H2,1-2H3
InChIKeyNBRCCRWUNBPEFX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.68
Rot. Bonds3

About 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83039128) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83039128
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC1(CC)CC(N2C3CCC2CC(N)C3)CCO1
InChIInChI=1S/C16H30N2O/c1-3-16(4-2)11-15(7-8-19-16)18-13-5-6-14(18)10-12(17)9-13/h12-15H,3-11,17H2,1-2H3
InChIKeyNBRCCRWUNBPEFX-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,6-dioxaspiro[4.5]decan-9-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 79902000
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
1-(2,2-diethyloxan-4-yl)piperidin-2-imine
CID 83029021
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65077683
8-(4-ethylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65085463
1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione
CID 83028865
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
CID 83039229
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 83039128) is 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCC1(CC)CC(N2C3CCC2CC(N)C3)CCO1.
What is the InChIKey of 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NBRCCRWUNBPEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-16(4-2)11-15(7-8-19-16)18-13-5-6-14(18)10-12(17)9-13/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 266.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83039128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).