4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine

C11H20N2O — CID 127006856

IUPAC4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine
SMILESCOC1(C)CN(CC2C=CC(N)C2)C1
InChIInChI=1S/C11H20N2O/c1-11(14-2)7-13(8-11)6-9-3-4-10(12)5-9/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyCYWURLBNEADYRU-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.61
Rot. Bonds3

About 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine

4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine (PubChem CID 127006856) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine
PubChem CID127006856
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine
SMILESCOC1(C)CN(CC2C=CC(N)C2)C1
InChIInChI=1S/C11H20N2O/c1-11(14-2)7-13(8-11)6-9-3-4-10(12)5-9/h3-4,9-10H,5-8,12H2,1-2H3
InChIKeyCYWURLBNEADYRU-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopent-2-en-1-amine
CID 79207748
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclopent-2-en-1-amine
CID 104959207
4-(methoxymethyl)cyclopent-2-en-1-amine
CID 130330774
2-(3-methoxy-3-methylazetidin-1-yl)ethanamine
CID 131066703
4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79207370
3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine
CID 130848466
4-[(4-tert-butylazepan-1-yl)methyl]cyclopent-2-en-1-amine
CID 79207094
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 107395119
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-ol
CID 107395253
bis([(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol);hydrochloride
CID 159585552
2-methoxy-5-[(3-methoxy-3-methylazetidin-1-yl)methyl]pyrimidine
CID 169307476
4-[(dipropylamino)methyl]cyclopent-2-en-1-amine
CID 79207072

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine (CID 127006856) is 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine is COC1(C)CN(CC2C=CC(N)C2)C1.
What is the InChIKey of 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine?
The InChIKey is CYWURLBNEADYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(14-2)7-13(8-11)6-9-3-4-10(12)5-9/h3-4,9-10H,5-8,12H2,1-2H3.
What are the key properties of 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine?
4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-methylazetidin-1-yl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 127006856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).