2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline

C15H22N2 — CID 83261284

IUPAC2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(C1CCCNCC1)N2
InChIInChI=1S/C15H22N2/c1-2-6-14-12(4-1)7-8-15(17-14)13-5-3-10-16-11-9-13/h1-2,4,6,13,15-17H,3,5,7-11H2
InChIKeyYHZMLCJXYUJERE-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.80
Rot. Bonds1

About 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline

2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 83261284) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID83261284
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(C1CCCNCC1)N2
InChIInChI=1S/C15H22N2/c1-2-6-14-12(4-1)7-8-15(17-14)13-5-3-10-16-11-9-13/h1-2,4,6,13,15-17H,3,5,7-11H2
InChIKeyYHZMLCJXYUJERE-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 65042054
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;azepane;azocane;2,3-dihydro-1H-indene;piperidine;pyrrolidine
CID 157345771
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
4-[5-(benzenesulfonyl)-2,3-dihydro-1H-inden-1-yl]azepane
CID 143209774
cyclopropane;methyl 2-methyl-3-(2-piperidin-4-yl-1,2,3,4-tetrahydroquinolin-7-yl)propanoate
CID 145377876
2-cyclohexyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165487729
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 42609658
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
trimethyl(1,2,3,4-tetrahydroquinolin-2-yl)silane
CID 15654414

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline (CID 83261284) is 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CCC(C1CCCNCC1)N2.
What is the InChIKey of 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YHZMLCJXYUJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-6-14-12(4-1)7-8-15(17-14)13-5-3-10-16-11-9-13/h1-2,4,6,13,15-17H,3,5,7-11H2.
What are the key properties of 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline?
2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 230.36 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83261284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).