8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

C17H26N2 — CID 104690100

IUPAC8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCCCN1c1cccc2c1NCCC2
InChIInChI=1S/C17H26N2/c1-2-15-10-4-3-5-13-19(15)16-11-6-8-14-9-7-12-18-17(14)16/h6,8,11,15,18H,2-5,7,9-10,12-13H2,1H3
InChIKeyYLAUSZODNFDQLC-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.20
Rot. Bonds2

About 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 104690100) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID104690100
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCCCN1c1cccc2c1NCCC2
InChIInChI=1S/C17H26N2/c1-2-15-10-4-3-5-13-19(15)16-11-6-8-14-9-7-12-18-17(14)16/h6,8,11,15,18H,2-5,7,9-10,12-13H2,1H3
InChIKeyYLAUSZODNFDQLC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
CID 97030516
8-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1,2,3,4-tetrahydroquinoline
CID 51723233
8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81217574
2-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888
N,N-dimethyl-1-[1-(1,2,3,4-tetrahydroquinolin-8-yl)piperidin-4-yl]methanamine
CID 81214999
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
8-(2-azabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81215369
8-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965797
(1S)-1-[2-(2-ethylazepan-1-yl)-6-methoxyphenyl]ethanamine
CID 104690196
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (CID 104690100) is 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is CCC1CCCCCN1c1cccc2c1NCCC2.
What is the InChIKey of 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YLAUSZODNFDQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-15-10-4-3-5-13-19(15)16-11-6-8-14-9-7-12-18-17(14)16/h6,8,11,15,18H,2-5,7,9-10,12-13H2,1H3.
What are the key properties of 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 258.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 104690100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).