(3-ethylazetidin-1-yl)methanimine

C6H12N2 — CID 173135588

IUPAC(3-ethylazetidin-1-yl)methanimine
SMILES[H]/N=C/N1CC(CC)C1
InChIInChI=1S/C6H12N2/c1-2-6-3-8(4-6)5-7/h5-7H,2-4H2,1H3/b7-5+
InChIKeyZOSIHHGPAWQOBF-FNORWQNLSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds2

About (3-ethylazetidin-1-yl)methanimine

(3-ethylazetidin-1-yl)methanimine (PubChem CID 173135588) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (3-ethylazetidin-1-yl)methanimine.

Molecular Properties

Compound Name(3-ethylazetidin-1-yl)methanimine
PubChem CID173135588
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(3-ethylazetidin-1-yl)methanimine
SMILES[H]/N=C/N1CC(CC)C1
InChIInChI=1S/C6H12N2/c1-2-6-3-8(4-6)5-7/h5-7H,2-4H2,1H3/b7-5+
InChIKeyZOSIHHGPAWQOBF-FNORWQNLSA-N
XLogP0.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethylazetidin-1-yl)methanimine?
The IUPAC name of (3-ethylazetidin-1-yl)methanimine (CID 173135588) is (3-ethylazetidin-1-yl)methanimine.
What is the SMILES notation for (3-ethylazetidin-1-yl)methanimine?
The canonical SMILES for (3-ethylazetidin-1-yl)methanimine is [H]/N=C/N1CC(CC)C1.
What is the InChIKey of (3-ethylazetidin-1-yl)methanimine?
The InChIKey is ZOSIHHGPAWQOBF-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-6-3-8(4-6)5-7/h5-7H,2-4H2,1H3/b7-5+.
What are the key properties of (3-ethylazetidin-1-yl)methanimine?
(3-ethylazetidin-1-yl)methanimine has a molecular weight of 112.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylazetidin-1-yl)methanimine is sourced from PubChem (CID 173135588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).