4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine

C17H36N2O2 — CID 103035915

IUPAC4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CN(C(C)C)CCO1
InChIInChI=1S/C17H36N2O2/c1-7-10-18-15(8-9-17(4,5)20-6)16-13-19(14(2)3)11-12-21-16/h14-16,18H,7-13H2,1-6H3
InChIKeyKAAOUDDRQIMFIM-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.67
Rot. Bonds9

About 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine

4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine (PubChem CID 103035915) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
PubChem CID103035915
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1CN(C(C)C)CCO1
InChIInChI=1S/C17H36N2O2/c1-7-10-18-15(8-9-17(4,5)20-6)16-13-19(14(2)3)11-12-21-16/h14-16,18H,7-13H2,1-6H3
InChIKeyKAAOUDDRQIMFIM-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine (CID 103035915) is 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1CN(C(C)C)CCO1.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
The InChIKey is KAAOUDDRQIMFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-7-10-18-15(8-9-17(4,5)20-6)16-13-19(14(2)3)11-12-21-16/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 103035915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).