4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine

C12H22N2O — CID 104959207

IUPAC4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine
SMILESC[C@@H]1CN(CC2C=CC(N)C2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O/c1-9-6-14(7-10(2)15-9)8-11-3-4-12(13)5-11/h3-4,9-12H,5-8,13H2,1-2H3/t9-,10+,11?,12?
InChIKeyXZXDPIKUOYTLHN-ZYANWLCNSA-N
MW210.32 g/mol
LogP1.00
Rot. Bonds2

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

4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine (PubChem CID 104959207) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine
PubChem CID104959207
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine
SMILESC[C@@H]1CN(CC2C=CC(N)C2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O/c1-9-6-14(7-10(2)15-9)8-11-3-4-12(13)5-11/h3-4,9-12H,5-8,13H2,1-2H3/t9-,10+,11?,12?
InChIKeyXZXDPIKUOYTLHN-ZYANWLCNSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine (CID 104959207) is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine is C[C@@H]1CN(CC2C=CC(N)C2)C[C@H](C)O1.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine?
The InChIKey is XZXDPIKUOYTLHN-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-6-14(7-10(2)15-9)8-11-3-4-12(13)5-11/h3-4,9-12H,5-8,13H2,1-2H3/t9-,10+,11?,12?.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine?
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 104959207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).