1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine

C10H18N2 — CID 20580866

IUPAC1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CC2CCCN2)CC1
InChIInChI=1S/C10H18N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h1-2,10-11H,3-9H2
InChIKeySLTFSPTWQNWBJL-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.00
Rot. Bonds2

About 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine

1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 20580866) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID20580866
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CC2CCCN2)CC1
InChIInChI=1S/C10H18N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h1-2,10-11H,3-9H2
InChIKeySLTFSPTWQNWBJL-UHFFFAOYSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine (CID 20580866) is 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine is C1=CCN(CC2CCCN2)CC1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SLTFSPTWQNWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h1-2,10-11H,3-9H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 166.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 20580866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).