N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H28N2O2 — CID 79901722

IUPACN-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CC2CCC(C1)N2)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H28N2O2/c1-18(15-8-12-2-3-13(9-15)17-12)14-4-6-20-16(10-14)5-7-19-11-16/h12-15,17H,2-11H2,1H3
InChIKeyPTQARXFYUUCRBO-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.54
Rot. Bonds2

About N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 79901722) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID79901722
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CC2CCC(C1)N2)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H28N2O2/c1-18(15-8-12-2-3-13(9-15)17-12)14-4-6-20-16(10-14)5-7-19-11-16/h12-15,17H,2-11H2,1H3
InChIKeyPTQARXFYUUCRBO-UHFFFAOYSA-N
XLogP1.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230843
N-methyl-N-(piperidin-4-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79899720
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894065
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
3-[2,6-dioxaspiro[4.5]decan-9-yl(methyl)amino]-2-methylpropanenitrile
CID 79903094
N-cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 45075231
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
CID 79894733
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
N'-cyclopropyl-N'-(2,6-dioxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897518
N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 79901722) is N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(C1CC2CCC(C1)N2)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PTQARXFYUUCRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-18(15-8-12-2-3-13(9-15)17-12)14-4-6-20-16(10-14)5-7-19-11-16/h12-15,17H,2-11H2,1H3.
What are the key properties of N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 280.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 79901722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).