1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one

C17H34N2O2 — CID 114782057

IUPAC1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CC(CN)OC(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-4-5-6-7-8-9-10-11-16(20)19-13-15(12-18)21-17(2,3)14-19/h15H,4-14,18H2,1-3H3
InChIKeyOFHCUTDCHGIOGL-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.09
Rot. Bonds9

About 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one

1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one (PubChem CID 114782057) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one
PubChem CID114782057
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CC(CN)OC(C)(C)C1
InChIInChI=1S/C17H34N2O2/c1-4-5-6-7-8-9-10-11-16(20)19-13-15(12-18)21-17(2,3)14-19/h15H,4-14,18H2,1-3H3
InChIKeyOFHCUTDCHGIOGL-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
CID 114781544
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(1-ethylcyclopentyl)methanone
CID 114782032
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]octan-1-one
CID 114960528
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
CID 114781946
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one?
The IUPAC name of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one (CID 114782057) is 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one.
What is the SMILES notation for 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one?
The canonical SMILES for 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one is CCCCCCCCCC(=O)N1CC(CN)OC(C)(C)C1.
What is the InChIKey of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one?
The InChIKey is OFHCUTDCHGIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-5-6-7-8-9-10-11-16(20)19-13-15(12-18)21-17(2,3)14-19/h15H,4-14,18H2,1-3H3.
What are the key properties of 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one?
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one has a molecular weight of 298.47 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]decan-1-one is sourced from PubChem (CID 114782057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).