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

C12H24N2O — CID 106546980

IUPAC3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine
SMILESCC(C)=CCNC(C)CN1CCOCC1
InChIInChI=1S/C12H24N2O/c1-11(2)4-5-13-12(3)10-14-6-8-15-9-7-14/h4,12-13H,5-10H2,1-3H3
InChIKeyAZEGBWQWHOZQSY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds5

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

3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine (PubChem CID 106546980) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine
PubChem CID106546980
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine
SMILESCC(C)=CCNC(C)CN1CCOCC1
InChIInChI=1S/C12H24N2O/c1-11(2)4-5-13-12(3)10-14-6-8-15-9-7-14/h4,12-13H,5-10H2,1-3H3
InChIKeyAZEGBWQWHOZQSY-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine (CID 106546980) is 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine is CC(C)=CCNC(C)CN1CCOCC1.
What is the InChIKey of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine?
The InChIKey is AZEGBWQWHOZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)4-5-13-12(3)10-14-6-8-15-9-7-14/h4,12-13H,5-10H2,1-3H3.
What are the key properties of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine?
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 106546980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).