6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine

C11H16N2 — CID 123650245

IUPAC6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
SMILESCC1CCC(C2=CCCC=N2)=NC1
InChIInChI=1S/C11H16N2/c1-9-5-6-11(13-8-9)10-4-2-3-7-12-10/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyYZCXUPWROIZHNF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds1

About 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine

6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine (PubChem CID 123650245) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
PubChem CID123650245
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
SMILESCC1CCC(C2=CCCC=N2)=NC1
InChIInChI=1S/C11H16N2/c1-9-5-6-11(13-8-9)10-4-2-3-7-12-10/h4,7,9H,2-3,5-6,8H2,1H3
InChIKeyYZCXUPWROIZHNF-UHFFFAOYSA-N
XLogP2.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
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6-Ethyl-4-ethylimino-1-methyliminonon-2-en-3-amine
CID 123490439
(5Z)-5,10-dimethyl-2-methylidene-1-azacycloundeca-5,11-diene
CID 130255115
6-(3-Methylbutyl)-3,4-dihydropyridine
CID 142079078
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
CID 142610613

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine?
The IUPAC name of 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine (CID 123650245) is 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine?
The canonical SMILES for 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine is CC1CCC(C2=CCCC=N2)=NC1.
What is the InChIKey of 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine?
The InChIKey is YZCXUPWROIZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-5-6-11(13-8-9)10-4-2-3-7-12-10/h4,7,9H,2-3,5-6,8H2,1H3.
What are the key properties of 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine?
6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine has a molecular weight of 176.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine is sourced from PubChem (CID 123650245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).