1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine

C11H15N3 — CID 60914978

IUPAC1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1cccnc1
InChIInChI=1S/C11H15N3/c12-11-4-2-7-14(11)8-5-10-3-1-6-13-9-10/h1,3,6,9,12H,2,4-5,7-8H2/b12-11+
InChIKeyBZPYBNSZPUDLTJ-VAWYXSNFSA-N
MW189.26 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine

1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine (PubChem CID 60914978) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
PubChem CID60914978
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1cccnc1
InChIInChI=1S/C11H15N3/c12-11-4-2-7-14(11)8-5-10-3-1-6-13-9-10/h1,3,6,9,12H,2,4-5,7-8H2/b12-11+
InChIKeyBZPYBNSZPUDLTJ-VAWYXSNFSA-N
XLogP1.70
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
CID 134700180
3,3-dimethyl-1-(2-pyridin-3-ylethyl)-1,4-diazepane
CID 64943019
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
3-(2-cyclobutylethyl)pyridine
CID 57204476
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981
7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
CID 134406396

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine (CID 60914978) is 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCc1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine?
The InChIKey is BZPYBNSZPUDLTJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15N3/c12-11-4-2-7-14(11)8-5-10-3-1-6-13-9-10/h1,3,6,9,12H,2,4-5,7-8H2/b12-11+.
What are the key properties of 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine?
1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine has a molecular weight of 189.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine is sourced from PubChem (CID 60914978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).