5-methyl-6-propyl-2,3-dihydropyridine

C9H15N — CID 123616339

IUPAC5-methyl-6-propyl-2,3-dihydropyridine
SMILESCCCC1=NCCC=C1C
InChIInChI=1S/C9H15N/c1-3-5-9-8(2)6-4-7-10-9/h6H,3-5,7H2,1-2H3
InChIKeyKEQQWMQAQUDBLG-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds2

About 5-methyl-6-propyl-2,3-dihydropyridine

5-methyl-6-propyl-2,3-dihydropyridine (PubChem CID 123616339) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-methyl-6-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-6-propyl-2,3-dihydropyridine
PubChem CID123616339
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-methyl-6-propyl-2,3-dihydropyridine
SMILESCCCC1=NCCC=C1C
InChIInChI=1S/C9H15N/c1-3-5-9-8(2)6-4-7-10-9/h6H,3-5,7H2,1-2H3
InChIKeyKEQQWMQAQUDBLG-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
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CID 76453742
2,3,5,6,7,8-Hexahydroquinoline
CID 53628232
6-Ethyl-2,3-dihydropyridine
CID 58693567
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
5-ethyl-4-fluoro-6-[(E)-1-fluorobut-2-enyl]-2-propyl-2,3-dihydropyridine
CID 146429564
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
(5S)-5-fluoro-2,3,5,6,7,8-hexahydroquinoline
CID 174141813
6-Butyl-4-(trifluoromethyl)-2,3-dihydropyridine
CID 174904968

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propyl-2,3-dihydropyridine?
The IUPAC name of 5-methyl-6-propyl-2,3-dihydropyridine (CID 123616339) is 5-methyl-6-propyl-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-6-propyl-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-6-propyl-2,3-dihydropyridine is CCCC1=NCCC=C1C.
What is the InChIKey of 5-methyl-6-propyl-2,3-dihydropyridine?
The InChIKey is KEQQWMQAQUDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-9-8(2)6-4-7-10-9/h6H,3-5,7H2,1-2H3.
What are the key properties of 5-methyl-6-propyl-2,3-dihydropyridine?
5-methyl-6-propyl-2,3-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propyl-2,3-dihydropyridine is sourced from PubChem (CID 123616339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).