2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine

C18H23N3 — CID 43628015

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine
SMILESNc1ccc2nc(N3CCCC4CCCCC43)ccc2c1
InChIInChI=1S/C18H23N3/c19-15-8-9-16-14(12-15)7-10-18(20-16)21-11-3-5-13-4-1-2-6-17(13)21/h7-10,12-13,17H,1-6,11,19H2
InChIKeyWVRLWWQPGUMXBK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.98
Rot. Bonds1

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine (PubChem CID 43628015) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine
PubChem CID43628015
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine
SMILESNc1ccc2nc(N3CCCC4CCCCC43)ccc2c1
InChIInChI=1S/C18H23N3/c19-15-8-9-16-14(12-15)7-10-18(20-16)21-11-3-5-13-4-1-2-6-17(13)21/h7-10,12-13,17H,1-6,11,19H2
InChIKeyWVRLWWQPGUMXBK-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine (CID 43628015) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine is Nc1ccc2nc(N3CCCC4CCCCC43)ccc2c1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine?
The InChIKey is WVRLWWQPGUMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-15-8-9-16-14(12-15)7-10-18(20-16)21-11-3-5-13-4-1-2-6-17(13)21/h7-10,12-13,17H,1-6,11,19H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine has a molecular weight of 281.40 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)quinolin-6-amine is sourced from PubChem (CID 43628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).