2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine

C15H21N3 — CID 43200228

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2ccccc2CN1CC1CCCN1CC
InChIInChI=1S/C15H21N3/c1-2-17-9-5-7-13(17)11-18-10-12-6-3-4-8-14(12)15(18)16/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3/b16-15-
InChIKeyUGJHUJLRDZFXCR-NXVVXOECSA-N
MW243.35 g/mol
LogP2.31
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine

2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine (PubChem CID 43200228) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine
PubChem CID43200228
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2ccccc2CN1CC1CCCN1CC
InChIInChI=1S/C15H21N3/c1-2-17-9-5-7-13(17)11-18-10-12-6-3-4-8-14(12)15(18)16/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3/b16-15-
InChIKeyUGJHUJLRDZFXCR-NXVVXOECSA-N
XLogP2.31
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.31
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 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine (CID 43200228) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine is [H]/N=C1/c2ccccc2CN1CC1CCCN1CC.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine?
The InChIKey is UGJHUJLRDZFXCR-NXVVXOECSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-17-9-5-7-13(17)11-18-10-12-6-3-4-8-14(12)15(18)16/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3/b16-15-.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine has a molecular weight of 243.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-imine is sourced from PubChem (CID 43200228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).