2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine

C11H15N3 — CID 63179471

IUPAC2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1ccncc1)N1CCCC1
InChIInChI=1S/C11H15N3/c12-11(14-7-1-2-8-14)9-10-3-5-13-6-4-10/h3-6,12H,1-2,7-9H2/b12-11-
InChIKeyJKUMQQQKFGVCGP-QXMHVHEDSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds2

About 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine

2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine (PubChem CID 63179471) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine
PubChem CID63179471
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1ccncc1)N1CCCC1
InChIInChI=1S/C11H15N3/c12-11(14-7-1-2-8-14)9-10-3-5-13-6-4-10/h3-6,12H,1-2,7-9H2/b12-11-
InChIKeyJKUMQQQKFGVCGP-QXMHVHEDSA-N
XLogP1.70
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine (CID 63179471) is 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine is [H]/N=C(/Cc1ccncc1)N1CCCC1.
What is the InChIKey of 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine?
The InChIKey is JKUMQQQKFGVCGP-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15N3/c12-11(14-7-1-2-8-14)9-10-3-5-13-6-4-10/h3-6,12H,1-2,7-9H2/b12-11-.
What are the key properties of 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine?
2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine has a molecular weight of 189.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 63179471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).