1-ethenyl-N-methylazetidin-3-amine

C6H12N2 — CID 162763164

IUPAC1-ethenyl-N-methylazetidin-3-amine
SMILESC=CN1CC(NC)C1
InChIInChI=1S/C6H12N2/c1-3-8-4-6(5-8)7-2/h3,6-7H,1,4-5H2,2H3
InChIKeyMGIMPWDJWZAASY-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.03
Rot. Bonds2

About 1-ethenyl-N-methylazetidin-3-amine

1-ethenyl-N-methylazetidin-3-amine (PubChem CID 162763164) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-ethenyl-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-ethenyl-N-methylazetidin-3-amine
PubChem CID162763164
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-ethenyl-N-methylazetidin-3-amine
SMILESC=CN1CC(NC)C1
InChIInChI=1S/C6H12N2/c1-3-8-4-6(5-8)7-2/h3,6-7H,1,4-5H2,2H3
InChIKeyMGIMPWDJWZAASY-UHFFFAOYSA-N
XLogP0.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-N-methylazetidin-3-amine?
The IUPAC name of 1-ethenyl-N-methylazetidin-3-amine (CID 162763164) is 1-ethenyl-N-methylazetidin-3-amine.
What is the SMILES notation for 1-ethenyl-N-methylazetidin-3-amine?
The canonical SMILES for 1-ethenyl-N-methylazetidin-3-amine is C=CN1CC(NC)C1.
What is the InChIKey of 1-ethenyl-N-methylazetidin-3-amine?
The InChIKey is MGIMPWDJWZAASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-8-4-6(5-8)7-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 1-ethenyl-N-methylazetidin-3-amine?
1-ethenyl-N-methylazetidin-3-amine has a molecular weight of 112.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-N-methylazetidin-3-amine is sourced from PubChem (CID 162763164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).