1-(3-methylpyrrolidin-1-yl)ethanimine

C7H14N2 — CID 20637099

IUPAC1-(3-methylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(C)C1
InChIInChI=1S/C7H14N2/c1-6-3-4-9(5-6)7(2)8/h6,8H,3-5H2,1-2H3/b8-7+
InChIKeyARSDREGGRZHMEA-BQYQJAHWSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds

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

1-(3-methylpyrrolidin-1-yl)ethanimine (PubChem CID 20637099) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-1-yl)ethanimine
PubChem CID20637099
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-(3-methylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(C)C1
InChIInChI=1S/C7H14N2/c1-6-3-4-9(5-6)7(2)8/h6,8H,3-5H2,1-2H3/b8-7+
InChIKeyARSDREGGRZHMEA-BQYQJAHWSA-N
XLogP1.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
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-(3-methylpyrrolidin-1-yl)ethanimine?
The IUPAC name of 1-(3-methylpyrrolidin-1-yl)ethanimine (CID 20637099) is 1-(3-methylpyrrolidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3-methylpyrrolidin-1-yl)ethanimine?
The canonical SMILES for 1-(3-methylpyrrolidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(C)C1.
What is the InChIKey of 1-(3-methylpyrrolidin-1-yl)ethanimine?
The InChIKey is ARSDREGGRZHMEA-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-3-4-9(5-6)7(2)8/h6,8H,3-5H2,1-2H3/b8-7+.
What are the key properties of 1-(3-methylpyrrolidin-1-yl)ethanimine?
1-(3-methylpyrrolidin-1-yl)ethanimine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-1-yl)ethanimine is sourced from PubChem (CID 20637099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).