4-cyclooctyl-5-methyl-3,4-dihydropyridine

C14H23N — CID 56982808

IUPAC4-cyclooctyl-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=CCC1C1CCCCCCC1
InChIInChI=1S/C14H23N/c1-12-11-15-10-9-14(12)13-7-5-3-2-4-6-8-13/h10-11,13-14H,2-9H2,1H3
InChIKeyMMCRYVWYHQEVCC-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.34
Rot. Bonds1

About 4-cyclooctyl-5-methyl-3,4-dihydropyridine

4-cyclooctyl-5-methyl-3,4-dihydropyridine (PubChem CID 56982808) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-cyclooctyl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-cyclooctyl-5-methyl-3,4-dihydropyridine
PubChem CID56982808
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-cyclooctyl-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=CCC1C1CCCCCCC1
InChIInChI=1S/C14H23N/c1-12-11-15-10-9-14(12)13-7-5-3-2-4-6-8-13/h10-11,13-14H,2-9H2,1H3
InChIKeyMMCRYVWYHQEVCC-UHFFFAOYSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4aR,10aS)-4a,5,6,7,8,9,10,10a-octahydrocycloocta[c]pyridine
CID 134861499
2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
4-Cyclohexyl-5-methyl-3,4-dihydropyridine
CID 57010115
5-Methyl-4-propan-2-yl-3,4-dihydropyridine
CID 57276957
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
5-Methyl-3-propyl-3,4-dihydropyridine
CID 89697915
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,13,14,14a-dodecahydrocyclododeca[c]pyridine
CID 89994118
4-Hexyl-2,3,5-trimethyl-3,4-dihydropyridine
CID 90075443
2,3-Dimethyl-5-pentyl-3,4-dihydropyridine
CID 90804373
5-Ethyl-4-methyl-3,4-dihydropyridine
CID 90809154

Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyl-5-methyl-3,4-dihydropyridine?
The IUPAC name of 4-cyclooctyl-5-methyl-3,4-dihydropyridine (CID 56982808) is 4-cyclooctyl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-cyclooctyl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-cyclooctyl-5-methyl-3,4-dihydropyridine is CC1=CN=CCC1C1CCCCCCC1.
What is the InChIKey of 4-cyclooctyl-5-methyl-3,4-dihydropyridine?
The InChIKey is MMCRYVWYHQEVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-12-11-15-10-9-14(12)13-7-5-3-2-4-6-8-13/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 4-cyclooctyl-5-methyl-3,4-dihydropyridine?
4-cyclooctyl-5-methyl-3,4-dihydropyridine has a molecular weight of 205.34 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 56982808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).