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

C19H30N2 — CID 24869203

IUPAC2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline
SMILESCN1CC(C2=NC3=C(CCCC3)CC2)CC2CCCCC21
InChIInChI=1S/C19H30N2/c1-21-13-16(12-15-7-3-5-9-19(15)21)18-11-10-14-6-2-4-8-17(14)20-18/h15-16,19H,2-13H2,1H3
InChIKeyPYRAOELTEKIZCV-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.56
Rot. Bonds1

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

2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline (PubChem CID 24869203) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline
PubChem CID24869203
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline
SMILESCN1CC(C2=NC3=C(CCCC3)CC2)CC2CCCCC21
InChIInChI=1S/C19H30N2/c1-21-13-16(12-15-7-3-5-9-19(15)21)18-11-10-14-6-2-4-8-17(14)20-18/h15-16,19H,2-13H2,1H3
InChIKeyPYRAOELTEKIZCV-UHFFFAOYSA-N
XLogP4.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

(7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
CID 11725009
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
CID 58634016
1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-4a,5,6,8-tetrahydro-4H-isoquinoline
CID 67714782
1,4,5,6-tetramethyl-2,3,5,6,6a,7,8,9,10,10a-decahydro-1H-benzo[c]quinolizine
CID 70220454
6-cyclohexyl-2-propan-2-yl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
CID 142358585
2-(1-Methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-3-yl)-3,4,5,6,7,8-hexahydroquinoline
CID 24869202
5-[(6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl)methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
CID 73074487

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline?
The IUPAC name of 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline (CID 24869203) is 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline?
The canonical SMILES for 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline is CN1CC(C2=NC3=C(CCCC3)CC2)CC2CCCCC21.
What is the InChIKey of 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline?
The InChIKey is PYRAOELTEKIZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-21-13-16(12-15-7-3-5-9-19(15)21)18-11-10-14-6-2-4-8-17(14)20-18/h15-16,19H,2-13H2,1H3.
What are the key properties of 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline?
2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline has a molecular weight of 286.46 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)-3,4,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 24869203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).