2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine

C18H36N2O2 — CID 139313671

IUPAC2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine
SMILESCC(C)CC1CNCC(CC(C)(C)CC2COCCN2C)O1
InChIInChI=1S/C18H36N2O2/c1-14(2)8-16-11-19-12-17(22-16)10-18(3,4)9-15-13-21-7-6-20(15)5/h14-17,19H,6-13H2,1-5H3
InChIKeyKFJUTPBIWXONOY-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.53
Rot. Bonds6

About 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine

2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine (PubChem CID 139313671) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine
PubChem CID139313671
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine
SMILESCC(C)CC1CNCC(CC(C)(C)CC2COCCN2C)O1
InChIInChI=1S/C18H36N2O2/c1-14(2)8-16-11-19-12-17(22-16)10-18(3,4)9-15-13-21-7-6-20(15)5/h14-17,19H,6-13H2,1-5H3
InChIKeyKFJUTPBIWXONOY-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine?
The IUPAC name of 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine (CID 139313671) is 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine?
The canonical SMILES for 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine is CC(C)CC1CNCC(CC(C)(C)CC2COCCN2C)O1.
What is the InChIKey of 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine?
The InChIKey is KFJUTPBIWXONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-14(2)8-16-11-19-12-17(22-16)10-18(3,4)9-15-13-21-7-6-20(15)5/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine?
2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine has a molecular weight of 312.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine is sourced from PubChem (CID 139313671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).