4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine

C13H24N2O — CID 79207748

IUPAC4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine
SMILESCC1CN(CC2C=CC(N)C2)CC(C)(C)O1
InChIInChI=1S/C13H24N2O/c1-10-7-15(9-13(2,3)16-10)8-11-4-5-12(14)6-11/h4-5,10-12H,6-9,14H2,1-3H3
InChIKeyOIDXPIWGEULDOJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.39
Rot. Bonds2

About 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine

4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine (PubChem CID 79207748) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine
PubChem CID79207748
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine
SMILESCC1CN(CC2C=CC(N)C2)CC(C)(C)O1
InChIInChI=1S/C13H24N2O/c1-10-7-15(9-13(2,3)16-10)8-11-4-5-12(14)6-11/h4-5,10-12H,6-9,14H2,1-3H3
InChIKeyOIDXPIWGEULDOJ-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.39
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 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine (CID 79207748) is 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine is CC1CN(CC2C=CC(N)C2)CC(C)(C)O1.
What is the InChIKey of 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine?
The InChIKey is OIDXPIWGEULDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-7-15(9-13(2,3)16-10)8-11-4-5-12(14)6-11/h4-5,10-12H,6-9,14H2,1-3H3.
What are the key properties of 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine?
4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).