3-(1-methylazetidin-2-yl)non-8-en-4-imine

C13H24N2 — CID 123343878

IUPAC3-(1-methylazetidin-2-yl)non-8-en-4-imine
SMILES[H]/N=C(\CCCC=C)C(CC)C1CCN1C
InChIInChI=1S/C13H24N2/c1-4-6-7-8-12(14)11(5-2)13-9-10-15(13)3/h4,11,13-14H,1,5-10H2,2-3H3/b14-12+
InChIKeySUEJGFLKSZJEFZ-WYMLVPIESA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds7

About 3-(1-methylazetidin-2-yl)non-8-en-4-imine

3-(1-methylazetidin-2-yl)non-8-en-4-imine (PubChem CID 123343878) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-(1-methylazetidin-2-yl)non-8-en-4-imine.

Molecular Properties

Compound Name3-(1-methylazetidin-2-yl)non-8-en-4-imine
PubChem CID123343878
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-(1-methylazetidin-2-yl)non-8-en-4-imine
SMILES[H]/N=C(\CCCC=C)C(CC)C1CCN1C
InChIInChI=1S/C13H24N2/c1-4-6-7-8-12(14)11(5-2)13-9-10-15(13)3/h4,11,13-14H,1,5-10H2,2-3H3/b14-12+
InChIKeySUEJGFLKSZJEFZ-WYMLVPIESA-N
XLogP3.09
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylazetidin-2-yl)non-8-en-4-imine?
The IUPAC name of 3-(1-methylazetidin-2-yl)non-8-en-4-imine (CID 123343878) is 3-(1-methylazetidin-2-yl)non-8-en-4-imine.
What is the SMILES notation for 3-(1-methylazetidin-2-yl)non-8-en-4-imine?
The canonical SMILES for 3-(1-methylazetidin-2-yl)non-8-en-4-imine is [H]/N=C(\CCCC=C)C(CC)C1CCN1C.
What is the InChIKey of 3-(1-methylazetidin-2-yl)non-8-en-4-imine?
The InChIKey is SUEJGFLKSZJEFZ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-7-8-12(14)11(5-2)13-9-10-15(13)3/h4,11,13-14H,1,5-10H2,2-3H3/b14-12+.
What are the key properties of 3-(1-methylazetidin-2-yl)non-8-en-4-imine?
3-(1-methylazetidin-2-yl)non-8-en-4-imine has a molecular weight of 208.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylazetidin-2-yl)non-8-en-4-imine is sourced from PubChem (CID 123343878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).