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

C10H20N2O — CID 79180293

IUPAC3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CN(C)CCO1
InChIInChI=1S/C10H20N2O/c1-8(2)6-9(11)10-7-12(3)4-5-13-10/h6,9-10H,4-5,7,11H2,1-3H3
InChIKeyMSFIHNGSSJDAQE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds2

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

3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine (PubChem CID 79180293) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine
PubChem CID79180293
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CN(C)CCO1
InChIInChI=1S/C10H20N2O/c1-8(2)6-9(11)10-7-12(3)4-5-13-10/h6,9-10H,4-5,7,11H2,1-3H3
InChIKeyMSFIHNGSSJDAQE-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79185967
3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
1-(4-methylmorpholin-2-yl)ethanol;hydrate
CID 173248751
2-(dichloromethyl)-4-methylmorpholine
CID 139654530
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanol
CID 79087571
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 107896693
(4-methylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
CID 79087190
1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79093223
2-amino-3-(4-methylmorpholin-2-yl)propanamide
CID 79172417
4-methylmorpholin-2-ol;hydrate
CID 175404438
(4-ethylcyclohexyl)-(4-methylmorpholin-2-yl)methanamine
CID 79092670

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine (CID 79180293) is 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine is CC(C)=CC(N)C1CN(C)CCO1.
What is the InChIKey of 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine?
The InChIKey is MSFIHNGSSJDAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)6-9(11)10-7-12(3)4-5-13-10/h6,9-10H,4-5,7,11H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine?
3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine is sourced from PubChem (CID 79180293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).