N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C16H27N3O — CID 62283998

IUPACN-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CCOC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-6-17-10-14-12(2)9-13(3)18-15(14)19-7-8-20-16(4,5)11-19/h9,17H,6-8,10-11H2,1-5H3
InChIKeyXRDBCUIIVDOSJQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds4

About N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62283998) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62283998
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CCOC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-6-17-10-14-12(2)9-13(3)18-15(14)19-7-8-20-16(4,5)11-19/h9,17H,6-8,10-11H2,1-5H3
InChIKeyXRDBCUIIVDOSJQ-UHFFFAOYSA-N
XLogP2.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62283998) is N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1N1CCOC(C)(C)C1.
What is the InChIKey of N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is XRDBCUIIVDOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-17-10-14-12(2)9-13(3)18-15(14)19-7-8-20-16(4,5)11-19/h9,17H,6-8,10-11H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62283998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).