8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline

C16H24N2 — CID 79748728

IUPAC8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1(C2CCCc3cccnc32)CCCN1
InChIInChI=1S/C16H24N2/c1-12(2)16(9-5-11-18-16)14-8-3-6-13-7-4-10-17-15(13)14/h4,7,10,12,14,18H,3,5-6,8-9,11H2,1-2H3
InChIKeyBTVJKOVKUIIPEB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.28
Rot. Bonds2

About 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline

8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 79748728) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID79748728
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC(C)C1(C2CCCc3cccnc32)CCCN1
InChIInChI=1S/C16H24N2/c1-12(2)16(9-5-11-18-16)14-8-3-6-13-7-4-10-17-15(13)14/h4,7,10,12,14,18H,3,5-6,8-9,11H2,1-2H3
InChIKeyBTVJKOVKUIIPEB-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748241
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
CID 79723752
8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline
CID 103984069
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609
(3-propan-2-ylpyrrolidin-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 106982195
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
CID 116540409
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093

Frequently Asked Questions

What is the IUPAC name of 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline (CID 79748728) is 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline is CC(C)C1(C2CCCc3cccnc32)CCCN1.
What is the InChIKey of 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is BTVJKOVKUIIPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)16(9-5-11-18-16)14-8-3-6-13-7-4-10-17-15(13)14/h4,7,10,12,14,18H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline?
8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 79748728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).