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

C18H23N3 — CID 62824077

IUPACN-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESc1cc(CNC2CCN3CCCCC23)c2ccncc2c1
InChIInChI=1S/C18H23N3/c1-2-10-21-11-8-17(18(21)6-1)20-13-15-5-3-4-14-12-19-9-7-16(14)15/h3-5,7,9,12,17-18,20H,1-2,6,8,10-11,13H2
InChIKeyLVWICTDKLOKKEZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds3

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

N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 62824077) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID62824077
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESc1cc(CNC2CCN3CCCCC23)c2ccncc2c1
InChIInChI=1S/C18H23N3/c1-2-10-21-11-8-17(18(21)6-1)20-13-15-5-3-4-14-12-19-9-7-16(14)15/h3-5,7,9,12,17-18,20H,1-2,6,8,10-11,13H2
InChIKeyLVWICTDKLOKKEZ-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-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-6-bromophenol
CID 61390738
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55110319
N-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112651957
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104791697
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953182
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
CID 103081674

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 62824077) is N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is c1cc(CNC2CCN3CCCCC23)c2ccncc2c1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is LVWICTDKLOKKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-10-21-11-8-17(18(21)6-1)20-13-15-5-3-4-14-12-19-9-7-16(14)15/h3-5,7,9,12,17-18,20H,1-2,6,8,10-11,13H2.
What are the key properties of N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-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-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 62824077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).