8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline

C14H23N — CID 123827757

IUPAC8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCCC(CC)C1CCCC2C=CC=NC21
InChIInChI=1S/C14H23N/c1-3-11(4-2)13-9-5-7-12-8-6-10-15-14(12)13/h6,8,10-14H,3-5,7,9H2,1-2H3
InChIKeyMESOYKVFSZXAOH-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.85
Rot. Bonds3

About 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline

8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 123827757) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID123827757
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCCC(CC)C1CCCC2C=CC=NC21
InChIInChI=1S/C14H23N/c1-3-11(4-2)13-9-5-7-12-8-6-10-15-14(12)13/h6,8,10-14H,3-5,7,9H2,1-2H3
InChIKeyMESOYKVFSZXAOH-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline with MolForge

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Related Compounds

(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 135042631
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
2-Cyclohexyl-11-pentyl-1-azacyclododeca-4,8,12-triene
CID 56991544
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
7,8-Dimethyl-4a,5,6,8a-tetrahydroquinoline
CID 57614234
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
CID 57614241
2-[1-(2,3-Dihydropyridin-2-yl)decyl]-2,3-dihydropyridine
CID 67427102
8-[(2R)-butan-2-yl]-3,4,4a,7,8,8a-hexahydroquinoline
CID 68340966
(4E)-7,9,10-trimethyl-2-azabicyclo[6.1.1]deca-2,4-diene
CID 68391164
2-[(4S)-4-cyclohex-2-en-1-ylcyclohex-2-en-1-yl]-2H-azirine
CID 70325313
3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
CID 89017608

Frequently Asked Questions

What is the IUPAC name of 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline (CID 123827757) is 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline is CCC(CC)C1CCCC2C=CC=NC21.
What is the InChIKey of 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is MESOYKVFSZXAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-11(4-2)13-9-5-7-12-8-6-10-15-14(12)13/h6,8,10-14H,3-5,7,9H2,1-2H3.
What are the key properties of 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline?
8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline has a molecular weight of 205.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentan-3-yl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 123827757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).