1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine

C9H18N2 — CID 88562927

IUPAC1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine
SMILES[H]/N=C(\C)C1C(CC)CCN1C
InChIInChI=1S/C9H18N2/c1-4-8-5-6-11(3)9(8)7(2)10/h8-10H,4-6H2,1-3H3/b10-7+
InChIKeyNVGHMDZMXIZWCW-JXMROGBWSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds2

About 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine

1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine (PubChem CID 88562927) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine
PubChem CID88562927
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine
SMILES[H]/N=C(\C)C1C(CC)CCN1C
InChIInChI=1S/C9H18N2/c1-4-8-5-6-11(3)9(8)7(2)10/h8-10H,4-6H2,1-3H3/b10-7+
InChIKeyNVGHMDZMXIZWCW-JXMROGBWSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
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-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine?
The IUPAC name of 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine (CID 88562927) is 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine is [H]/N=C(\C)C1C(CC)CCN1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine?
The InChIKey is NVGHMDZMXIZWCW-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-8-5-6-11(3)9(8)7(2)10/h8-10H,4-6H2,1-3H3/b10-7+.
What are the key properties of 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine?
1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine has a molecular weight of 154.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrrolidin-2-yl)ethanimine is sourced from PubChem (CID 88562927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).