N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine

C10H20N2O — CID 79093249

IUPACN-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CN(C)CCO1
InChIInChI=1S/C10H20N2O/c1-4-5-9(11-2)10-8-12(3)6-7-13-10/h4,9-11H,1,5-8H2,2-3H3
InChIKeyUMEUELOIWDLLJX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.48
Rot. Bonds4

About N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine

N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine (PubChem CID 79093249) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
PubChem CID79093249
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CN(C)CCO1
InChIInChI=1S/C10H20N2O/c1-4-5-9(11-2)10-8-12(3)6-7-13-10/h4,9-11H,1,5-8H2,2-3H3
InChIKeyUMEUELOIWDLLJX-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine (CID 79093249) is N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine is C=CCC(NC)C1CN(C)CCO1.
What is the InChIKey of N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine?
The InChIKey is UMEUELOIWDLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-9(11-2)10-8-12(3)6-7-13-10/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine?
N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine is sourced from PubChem (CID 79093249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).