(1S)-1-isoquinolin-5-ylpropan-1-amine

C12H14N2 — CID 55253697

IUPAC(1S)-1-isoquinolin-5-ylpropan-1-amine
SMILESCC[C@H](N)c1cccc2cnccc12
InChIInChI=1S/C12H14N2/c1-2-12(13)11-5-3-4-9-8-14-7-6-10(9)11/h3-8,12H,2,13H2,1H3/t12-/m0/s1
InChIKeyODADUUZSBUEUAP-LBPRGKRZSA-N
MW186.26 g/mol
LogP2.64
Rot. Bonds2

About (1S)-1-isoquinolin-5-ylpropan-1-amine

(1S)-1-isoquinolin-5-ylpropan-1-amine (PubChem CID 55253697) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (1S)-1-isoquinolin-5-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-isoquinolin-5-ylpropan-1-amine
PubChem CID55253697
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(1S)-1-isoquinolin-5-ylpropan-1-amine
SMILESCC[C@H](N)c1cccc2cnccc12
InChIInChI=1S/C12H14N2/c1-2-12(13)11-5-3-4-9-8-14-7-6-10(9)11/h3-8,12H,2,13H2,1H3/t12-/m0/s1
InChIKeyODADUUZSBUEUAP-LBPRGKRZSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-isoquinolin-5-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-isoquinolin-5-ylethanol
CID 55271452
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55119046
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
CID 115853123
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511

Frequently Asked Questions

What is the IUPAC name of (1S)-1-isoquinolin-5-ylpropan-1-amine?
The IUPAC name of (1S)-1-isoquinolin-5-ylpropan-1-amine (CID 55253697) is (1S)-1-isoquinolin-5-ylpropan-1-amine.
What is the SMILES notation for (1S)-1-isoquinolin-5-ylpropan-1-amine?
The canonical SMILES for (1S)-1-isoquinolin-5-ylpropan-1-amine is CC[C@H](N)c1cccc2cnccc12.
What is the InChIKey of (1S)-1-isoquinolin-5-ylpropan-1-amine?
The InChIKey is ODADUUZSBUEUAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-12(13)11-5-3-4-9-8-14-7-6-10(9)11/h3-8,12H,2,13H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-isoquinolin-5-ylpropan-1-amine?
(1S)-1-isoquinolin-5-ylpropan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-isoquinolin-5-ylpropan-1-amine is sourced from PubChem (CID 55253697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).