2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine

C11H14N2 — CID 23195993

IUPAC2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine
SMILESC1=CN=C(CC2=NC=CCC2)CC1
InChIInChI=1S/C11H14N2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h3-4,7-8H,1-2,5-6,9H2
InChIKeyPGLANSGXWYGGLT-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.87
Rot. Bonds2

About 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine

2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine (PubChem CID 23195993) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine
PubChem CID23195993
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine
SMILESC1=CN=C(CC2=NC=CCC2)CC1
InChIInChI=1S/C11H14N2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h3-4,7-8H,1-2,5-6,9H2
InChIKeyPGLANSGXWYGGLT-UHFFFAOYSA-N
XLogP2.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-3,4-dihydropyridine
CID 14979253
2-(3H-pyrrol-2-yl)-3H-pyrrole
CID 59381539
CID 89171163
CID 89171163
2-(3,4-Dihydropyridin-2-yl)-3,4-dihydropyridine
CID 130312909
N-dodec-1-enylbutan-2-imine
CID 141138012
N-dec-1-enylbutan-2-imine
CID 141138013
Ethane;2-methyl-3,4-dihydropyridine
CID 142828306
Ethane;2-ethyl-3,4-dihydropyridine
CID 143629885
2-ethyl-4,5-dihydro-3H-azepine
CID 145692897
1-(3,4-dihydropyridin-2-yl)-N-methylpropan-1-imine
CID 146521406
2-butyl-3H-pyrrole
CID 152275915
Ethane;2-propyl-3,4-dihydropyridine
CID 153601020

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine?
The IUPAC name of 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine (CID 23195993) is 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine is C1=CN=C(CC2=NC=CCC2)CC1.
What is the InChIKey of 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine?
The InChIKey is PGLANSGXWYGGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine?
2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine has a molecular weight of 174.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-2-ylmethyl)-3,4-dihydropyridine is sourced from PubChem (CID 23195993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).