[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone

C13H24N2O3 — CID 114781946

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2(C)CCCO2)CC(CN)O1
InChIInChI=1S/C13H24N2O3/c1-12(2)9-15(8-10(7-14)18-12)11(16)13(3)5-4-6-17-13/h10H,4-9,14H2,1-3H3
InChIKeySNWYCIHQSIKBDQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds2

About [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone (PubChem CID 114781946) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
PubChem CID114781946
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2(C)CCCO2)CC(CN)O1
InChIInChI=1S/C13H24N2O3/c1-12(2)9-15(8-10(7-14)18-12)11(16)13(3)5-4-6-17-13/h10H,4-9,14H2,1-3H3
InChIKeySNWYCIHQSIKBDQ-UHFFFAOYSA-N
XLogP0.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(1-ethylcyclopentyl)methanone
CID 114782032
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one
CID 114782057
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323373
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114782402
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
CID 114781963

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone (CID 114781946) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone is CC1(C)CN(C(=O)C2(C)CCCO2)CC(CN)O1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone?
The InChIKey is SNWYCIHQSIKBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2)9-15(8-10(7-14)18-12)11(16)13(3)5-4-6-17-13/h10H,4-9,14H2,1-3H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone is sourced from PubChem (CID 114781946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).