[4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine

C13H26N2O2 — CID 55066088

IUPAC[4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine
SMILESCC1CN(CC2(CN)CCOCC2)CC(C)O1
InChIInChI=1S/C13H26N2O2/c1-11-7-15(8-12(2)17-11)10-13(9-14)3-5-16-6-4-13/h11-12H,3-10,14H2,1-2H3
InChIKeyKFBUJWIQXGDVPX-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds3

About [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine

[4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine (PubChem CID 55066088) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine
PubChem CID55066088
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine
SMILESCC1CN(CC2(CN)CCOCC2)CC(C)O1
InChIInChI=1S/C13H26N2O2/c1-11-7-15(8-12(2)17-11)10-13(9-14)3-5-16-6-4-13/h11-12H,3-10,14H2,1-2H3
InChIKeyKFBUJWIQXGDVPX-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine (CID 55066088) is [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine is CC1CN(CC2(CN)CCOCC2)CC(C)O1.
What is the InChIKey of [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is KFBUJWIQXGDVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-7-15(8-12(2)17-11)10-13(9-14)3-5-16-6-4-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine?
[4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 55066088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).