1-(1-propylazetidin-3-yl)ethanimine

C8H16N2 — CID 123452257

IUPAC1-(1-propylazetidin-3-yl)ethanimine
SMILES[H]/N=C(\C)C1CN(CCC)C1
InChIInChI=1S/C8H16N2/c1-3-4-10-5-8(6-10)7(2)9/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyRWUWCEAWJWEUNS-VQHVLOKHSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds3

About 1-(1-propylazetidin-3-yl)ethanimine

1-(1-propylazetidin-3-yl)ethanimine (PubChem CID 123452257) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(1-propylazetidin-3-yl)ethanimine.

Molecular Properties

Compound Name1-(1-propylazetidin-3-yl)ethanimine
PubChem CID123452257
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(1-propylazetidin-3-yl)ethanimine
SMILES[H]/N=C(\C)C1CN(CCC)C1
InChIInChI=1S/C8H16N2/c1-3-4-10-5-8(6-10)7(2)9/h8-9H,3-6H2,1-2H3/b9-7+
InChIKeyRWUWCEAWJWEUNS-VQHVLOKHSA-N
XLogP1.37
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
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-(1-propylazetidin-3-yl)ethanimine?
The IUPAC name of 1-(1-propylazetidin-3-yl)ethanimine (CID 123452257) is 1-(1-propylazetidin-3-yl)ethanimine.
What is the SMILES notation for 1-(1-propylazetidin-3-yl)ethanimine?
The canonical SMILES for 1-(1-propylazetidin-3-yl)ethanimine is [H]/N=C(\C)C1CN(CCC)C1.
What is the InChIKey of 1-(1-propylazetidin-3-yl)ethanimine?
The InChIKey is RWUWCEAWJWEUNS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-10-5-8(6-10)7(2)9/h8-9H,3-6H2,1-2H3/b9-7+.
What are the key properties of 1-(1-propylazetidin-3-yl)ethanimine?
1-(1-propylazetidin-3-yl)ethanimine has a molecular weight of 140.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylazetidin-3-yl)ethanimine is sourced from PubChem (CID 123452257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).