1-(2,5-dimethylpyrrolidin-1-yl)ethanimine

C8H16N2 — CID 18727517

IUPAC1-(2,5-dimethylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(C)CCC1C
InChIInChI=1S/C8H16N2/c1-6-4-5-7(2)10(6)8(3)9/h6-7,9H,4-5H2,1-3H3/b9-8+
InChIKeyUOZFXTRCZXXGLX-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.86
Rot. Bonds

About 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine

1-(2,5-dimethylpyrrolidin-1-yl)ethanimine (PubChem CID 18727517) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrrolidin-1-yl)ethanimine
PubChem CID18727517
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-(2,5-dimethylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(C)CCC1C
InChIInChI=1S/C8H16N2/c1-6-4-5-7(2)10(6)8(3)9/h6-7,9H,4-5H2,1-3H3/b9-8+
InChIKeyUOZFXTRCZXXGLX-CMDGGOBGSA-N
XLogP1.86
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.86
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 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine?
The IUPAC name of 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine (CID 18727517) is 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine.
What is the SMILES notation for 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine?
The canonical SMILES for 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine is [H]/N=C(\C)N1C(C)CCC1C.
What is the InChIKey of 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine?
The InChIKey is UOZFXTRCZXXGLX-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-4-5-7(2)10(6)8(3)9/h6-7,9H,4-5H2,1-3H3/b9-8+.
What are the key properties of 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine?
1-(2,5-dimethylpyrrolidin-1-yl)ethanimine has a molecular weight of 140.23 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrrolidin-1-yl)ethanimine is sourced from PubChem (CID 18727517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).