3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine

C21H42N2O2 — CID 134516823

IUPAC3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine
SMILESCCC(C(C)C)C1COCC(CC(C)(C)CC2CN(C)CCO2)N1C
InChIInChI=1S/C21H42N2O2/c1-8-19(16(2)3)20-15-24-14-17(23(20)7)11-21(4,5)12-18-13-22(6)9-10-25-18/h16-20H,8-15H2,1-7H3
InChIKeyDBGMDIPAKJRPOZ-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.50
Rot. Bonds7

About 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine

3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine (PubChem CID 134516823) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine.

Molecular Properties

Compound Name3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine
PubChem CID134516823
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine
SMILESCCC(C(C)C)C1COCC(CC(C)(C)CC2CN(C)CCO2)N1C
InChIInChI=1S/C21H42N2O2/c1-8-19(16(2)3)20-15-24-14-17(23(20)7)11-21(4,5)12-18-13-22(6)9-10-25-18/h16-20H,8-15H2,1-7H3
InChIKeyDBGMDIPAKJRPOZ-UHFFFAOYSA-N
XLogP3.50
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine with MolForge

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Related Compounds

4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
3-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356168
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
4-(3,3-dimethylbutyl)-2-(2,2,5-trimethyl-4-morpholin-4-ylhexyl)morpholine
CID 134350849
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 115616636
2-methyl-N-[1-(4-methylmorpholin-2-yl)ethyl]pentan-3-amine
CID 115894923
3-ethyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-3-amine
CID 79172199
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine?
The IUPAC name of 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine (CID 134516823) is 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine.
What is the SMILES notation for 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine?
The canonical SMILES for 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine is CCC(C(C)C)C1COCC(CC(C)(C)CC2CN(C)CCO2)N1C.
What is the InChIKey of 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine?
The InChIKey is DBGMDIPAKJRPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-8-19(16(2)3)20-15-24-14-17(23(20)7)11-21(4,5)12-18-13-22(6)9-10-25-18/h16-20H,8-15H2,1-7H3.
What are the key properties of 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine?
3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine has a molecular weight of 354.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-3-(4-methylmorpholin-2-yl)propyl]-4-methyl-5-(2-methylpentan-3-yl)morpholine is sourced from PubChem (CID 134516823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).