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

C14H28N2O — CID 79663340

IUPAC1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C14H28N2O/c1-5-7-13(15-8-6-2)14-11-16(12(3)4)9-10-17-14/h5,12-15H,1,6-11H2,2-4H3
InChIKeyRGXJZXKQAZTZFI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

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

1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 79663340) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
PubChem CID79663340
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C14H28N2O/c1-5-7-13(15-8-6-2)14-11-16(12(3)4)9-10-17-14/h5,12-15H,1,6-11H2,2-4H3
InChIKeyRGXJZXKQAZTZFI-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine (CID 79663340) is 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)C1CN(C(C)C)CCO1.
What is the InChIKey of 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is RGXJZXKQAZTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-13(15-8-6-2)14-11-16(12(3)4)9-10-17-14/h5,12-15H,1,6-11H2,2-4H3.
What are the key properties of 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79663340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).