(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane

C14H34N2O2 — CID 161136062

IUPAC(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
SMILESC.C.CC1CN(C)CCO1.C[C@H]1CN(C)CCO1
InChIInChI=1S/2C6H13NO.2CH4/c2*1-6-5-7(2)3-4-8-6;;/h2*6H,3-5H2,1-2H3;2*1H4/t6-;;;/m0.../s1
InChIKeyUMUUFOUXPINMCG-GSUNZCPGSA-N
MW262.44 g/mol
LogP1.95
Rot. Bonds

About (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane

(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane (PubChem CID 161136062) has the molecular formula C14H34N2O2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane.

Molecular Properties

Compound Name(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
PubChem CID161136062
Molecular FormulaC14H34N2O2
Molecular Weight262.44 g/mol
Exact Mass262.26
IUPAC Name(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
SMILESC.C.CC1CN(C)CCO1.C[C@H]1CN(C)CCO1
InChIInChI=1S/2C6H13NO.2CH4/c2*1-6-5-7(2)3-4-8-6;;/h2*6H,3-5H2,1-2H3;2*1H4/t6-;;;/m0.../s1
InChIKeyUMUUFOUXPINMCG-GSUNZCPGSA-N
XLogP1.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethylmorpholine;methanol
CID 156729518
(2S)-2,4-dimethylmorpholine;propane
CID 178115221
2-methyl-4-propan-2-ylmorpholine
CID 176666634
4,6-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclononadecane
CID 153363476
(5S)-3,5-dimethyl-1,3-oxazolidine
CID 118932917
2-fluoro-4-methylmorpholine
CID 86015545
2-methyl-4-propan-2-ylsulfonylmorpholine
CID 61355181
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
4-methylmorpholin-2-ol;hydrate
CID 175404438
2-cyclopropyl-4-methylmorpholine
CID 121357634
2-methylmorpholine-4-sulfinic acid
CID 89262357
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane?
The IUPAC name of (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane (CID 161136062) is (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane.
What is the SMILES notation for (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane?
The canonical SMILES for (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane is C.C.CC1CN(C)CCO1.C[C@H]1CN(C)CCO1.
What is the InChIKey of (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane?
The InChIKey is UMUUFOUXPINMCG-GSUNZCPGSA-N. The full InChI is InChI=1S/2C6H13NO.2CH4/c2*1-6-5-7(2)3-4-8-6;;/h2*6H,3-5H2,1-2H3;2*1H4/t6-;;;/m0.../s1.
What are the key properties of (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane?
(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane has a molecular weight of 262.44 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane is sourced from PubChem (CID 161136062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).