2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

C13H26N2O — CID 103068843

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)14-6-11(3)7-15-8-12(4)16-13(5)9-15/h10,12-14H,3,6-9H2,1-2,4-5H3
InChIKeyWUOROPPNRBTKOB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds5

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103068843) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103068843
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CC(C)OC(C)C1
InChIInChI=1S/C13H26N2O/c1-10(2)14-6-11(3)7-15-8-12(4)16-13(5)9-15/h10,12-14H,3,6-9H2,1-2,4-5H3
InChIKeyWUOROPPNRBTKOB-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
N-ethyl-N-[(5-methylmorpholin-2-yl)methyl]ethanamine
CID 21032428
2-Morpholinemethanamine, N,N,5-trimethyl-
CID 22056006
N-(morpholin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22959034
[((2R,5R)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 45088569
[((2S,5R)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 45088570
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
[((2S,5S)-5-methylmorpholin-2-yl)methyl]dimethylamine
CID 58650608
N-ethyl-N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]ethanamine
CID 58650610
N-[(4-propan-2-ylmorpholin-2-yl)methyl]propan-2-amine
CID 58912910
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
3-(2,6-dimethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 60852369

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103068843) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is WUOROPPNRBTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)14-6-11(3)7-15-8-12(4)16-13(5)9-15/h10,12-14H,3,6-9H2,1-2,4-5H3.
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103068843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).