1-(azetidin-3-yl)-N-methylpropan-2-imine

C7H14N2 — CID 123851656

IUPAC1-(azetidin-3-yl)-N-methylpropan-2-imine
SMILESC/N=C(\C)CC1CNC1
InChIInChI=1S/C7H14N2/c1-6(8-2)3-7-4-9-5-7/h7,9H,3-5H2,1-2H3/b8-6+
InChIKeyBVKPEIFLSKGJJH-SOFGYWHQSA-N
MW126.20 g/mol
LogP0.69
Rot. Bonds2

About 1-(azetidin-3-yl)-N-methylpropan-2-imine

1-(azetidin-3-yl)-N-methylpropan-2-imine (PubChem CID 123851656) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-methylpropan-2-imine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-methylpropan-2-imine
PubChem CID123851656
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-(azetidin-3-yl)-N-methylpropan-2-imine
SMILESC/N=C(\C)CC1CNC1
InChIInChI=1S/C7H14N2/c1-6(8-2)3-7-4-9-5-7/h7,9H,3-5H2,1-2H3/b8-6+
InChIKeyBVKPEIFLSKGJJH-SOFGYWHQSA-N
XLogP0.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-methylpropan-2-imine?
The IUPAC name of 1-(azetidin-3-yl)-N-methylpropan-2-imine (CID 123851656) is 1-(azetidin-3-yl)-N-methylpropan-2-imine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-methylpropan-2-imine?
The canonical SMILES for 1-(azetidin-3-yl)-N-methylpropan-2-imine is C/N=C(\C)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-methylpropan-2-imine?
The InChIKey is BVKPEIFLSKGJJH-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8-2)3-7-4-9-5-7/h7,9H,3-5H2,1-2H3/b8-6+.
What are the key properties of 1-(azetidin-3-yl)-N-methylpropan-2-imine?
1-(azetidin-3-yl)-N-methylpropan-2-imine has a molecular weight of 126.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-methylpropan-2-imine is sourced from PubChem (CID 123851656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).