N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C18H23N3 — CID 112728504

IUPACN-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESc1cnc2c(CNC3CCN4CCCC4C3)cccc2c1
InChIInChI=1S/C18H23N3/c1-4-14-6-2-9-19-18(14)15(5-1)13-20-16-8-11-21-10-3-7-17(21)12-16/h1-2,4-6,9,16-17,20H,3,7-8,10-13H2
InChIKeyIRUOCKQZQKCILQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds3

About N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 112728504) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID112728504
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESc1cnc2c(CNC3CCN4CCCC4C3)cccc2c1
InChIInChI=1S/C18H23N3/c1-4-14-6-2-9-19-18(14)15(5-1)13-20-16-8-11-21-10-3-7-17(21)12-16/h1-2,4-6,9,16-17,20H,3,7-8,10-13H2
InChIKeyIRUOCKQZQKCILQ-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245
(7R,8aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124855746
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 112728504) is N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is c1cnc2c(CNC3CCN4CCCC4C3)cccc2c1.
What is the InChIKey of N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is IRUOCKQZQKCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-14-6-2-9-19-18(14)15(5-1)13-20-16-8-11-21-10-3-7-17(21)12-16/h1-2,4-6,9,16-17,20H,3,7-8,10-13H2.
What are the key properties of N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 281.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 112728504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).