8-pentyl-6,7,8,8a-tetrahydroquinoline

C14H21N — CID 57045796

IUPAC8-pentyl-6,7,8,8a-tetrahydroquinoline
SMILESCCCCCC1CCC=C2C=CC=NC21
InChIInChI=1S/C14H21N/c1-2-3-4-7-12-8-5-9-13-10-6-11-15-14(12)13/h6,9-12,14H,2-5,7-8H2,1H3
InChIKeyYNEATTPQZRLERG-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.91
Rot. Bonds4

About 8-pentyl-6,7,8,8a-tetrahydroquinoline

8-pentyl-6,7,8,8a-tetrahydroquinoline (PubChem CID 57045796) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 8-pentyl-6,7,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name8-pentyl-6,7,8,8a-tetrahydroquinoline
PubChem CID57045796
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name8-pentyl-6,7,8,8a-tetrahydroquinoline
SMILESCCCCCC1CCC=C2C=CC=NC21
InChIInChI=1S/C14H21N/c1-2-3-4-7-12-8-5-9-13-10-6-11-15-14(12)13/h6,9-12,14H,2-5,7-8H2,1H3
InChIKeyYNEATTPQZRLERG-UHFFFAOYSA-N
XLogP3.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566
3,4,6,6a,7,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 57100469
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
7,7-dimethyl-8,8a-dihydro-6H-quinoline
CID 57147836

Frequently Asked Questions

What is the IUPAC name of 8-pentyl-6,7,8,8a-tetrahydroquinoline?
The IUPAC name of 8-pentyl-6,7,8,8a-tetrahydroquinoline (CID 57045796) is 8-pentyl-6,7,8,8a-tetrahydroquinoline.
What is the SMILES notation for 8-pentyl-6,7,8,8a-tetrahydroquinoline?
The canonical SMILES for 8-pentyl-6,7,8,8a-tetrahydroquinoline is CCCCCC1CCC=C2C=CC=NC21.
What is the InChIKey of 8-pentyl-6,7,8,8a-tetrahydroquinoline?
The InChIKey is YNEATTPQZRLERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-7-12-8-5-9-13-10-6-11-15-14(12)13/h6,9-12,14H,2-5,7-8H2,1H3.
What are the key properties of 8-pentyl-6,7,8,8a-tetrahydroquinoline?
8-pentyl-6,7,8,8a-tetrahydroquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentyl-6,7,8,8a-tetrahydroquinoline is sourced from PubChem (CID 57045796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).