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

C12H24N2O — CID 79092600

IUPAC1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CN(C)CCO1
InChIInChI=1S/C12H24N2O/c1-4-6-11(13-7-5-2)12-10-14(3)8-9-15-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeySCRKZEBXGBXHIA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

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

1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 79092600) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine
PubChem CID79092600
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CN(C)CCO1
InChIInChI=1S/C12H24N2O/c1-4-6-11(13-7-5-2)12-10-14(3)8-9-15-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeySCRKZEBXGBXHIA-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine (CID 79092600) is 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)C1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is SCRKZEBXGBXHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-11(13-7-5-2)12-10-14(3)8-9-15-12/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79092600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).