3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine

C20H32N2 — CID 175066876

IUPAC3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine
SMILESCCCCCCC1CCc2nc(C3CCC(N)C3)ccc2C1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-15-7-11-19-16(13-15)9-12-20(22-19)17-8-10-18(21)14-17/h9,12,15,17-18H,2-8,10-11,13-14,21H2,1H3
InChIKeyLNNYVEVTXURQRL-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.75
Rot. Bonds6

About 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine

3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine (PubChem CID 175066876) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine
PubChem CID175066876
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine
SMILESCCCCCCC1CCc2nc(C3CCC(N)C3)ccc2C1
InChIInChI=1S/C20H32N2/c1-2-3-4-5-6-15-7-11-19-16(13-15)9-12-20(22-19)17-8-10-18(21)14-17/h9,12,15,17-18H,2-8,10-11,13-14,21H2,1H3
InChIKeyLNNYVEVTXURQRL-UHFFFAOYSA-N
XLogP4.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline
CID 70364597
(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline
CID 7283492
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865826
2-hexyl-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865964
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 139896307
5-fluoro-2-hexyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865631
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
7-fluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139864767

Frequently Asked Questions

What is the IUPAC name of 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine (CID 175066876) is 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine is CCCCCCC1CCc2nc(C3CCC(N)C3)ccc2C1.
What is the InChIKey of 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine?
The InChIKey is LNNYVEVTXURQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-3-4-5-6-15-7-11-19-16(13-15)9-12-20(22-19)17-8-10-18(21)14-17/h9,12,15,17-18H,2-8,10-11,13-14,21H2,1H3.
What are the key properties of 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine?
3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 175066876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).