N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine

C18H23N3 — CID 63229307

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC1CCN2CCCCC12
InChIInChI=1S/C18H23N3/c1-13-12-14-6-2-3-7-15(14)19-18(13)20-16-9-11-21-10-5-4-8-17(16)21/h2-3,6-7,12,16-17H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyQTYXZEUWXGHIHZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.58
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine (PubChem CID 63229307) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine
PubChem CID63229307
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NC1CCN2CCCCC12
InChIInChI=1S/C18H23N3/c1-13-12-14-6-2-3-7-15(14)19-18(13)20-16-9-11-21-10-5-4-8-17(16)21/h2-3,6-7,12,16-17H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyQTYXZEUWXGHIHZ-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine
CID 63229349
2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 63229228
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
CID 80784788
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
3-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 63535243
3-methyl-N-piperidin-1-ylquinolin-2-amine
CID 83025545
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylbenzene-1,4-diamine
CID 54968305
N-(3,5,6-trichloro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 102750709
N-naphthalen-1-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853527
1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methylbenzene-1,4-diamine
CID 54968255

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine (CID 63229307) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine?
The InChIKey is QTYXZEUWXGHIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-12-14-6-2-3-7-15(14)19-18(13)20-16-9-11-21-10-5-4-8-17(16)21/h2-3,6-7,12,16-17H,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylquinolin-2-amine is sourced from PubChem (CID 63229307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).