N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C17H32N2O2 — CID 75516166

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOCCN1CCCC1CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C17H32N2O2/c1-17(2)15(14-7-5-10-21-16(14)17)18-12-13-6-4-8-19(13)9-11-20-3/h13-16,18H,4-12H2,1-3H3
InChIKeyYIOJOBYLYDHOJH-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.89
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 75516166) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID75516166
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOCCN1CCCC1CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C17H32N2O2/c1-17(2)15(14-7-5-10-21-16(14)17)18-12-13-6-4-8-19(13)9-11-20-3/h13-16,18H,4-12H2,1-3H3
InChIKeyYIOJOBYLYDHOJH-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 75516169
2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
CID 155150895
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64862627
1-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64862639
8,8-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862654
4-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 64862826
8,8-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862830
8,8-dimethyl-N-[1-(oxolan-2-yl)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862835
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine
CID 64862857
N-(2-butoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862858
8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862859
8,8-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862861

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 75516166) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COCCN1CCCC1CNC1C2CCCOC2C1(C)C.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is YIOJOBYLYDHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2)15(14-7-5-10-21-16(14)17)18-12-13-6-4-8-19(13)9-11-20-3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 296.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 75516166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).