(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol

C15H18N2O — CID 97169758

IUPAC(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol
SMILESOCC[C@H](NC1CC1)c1nccc2ccccc12
InChIInChI=1S/C15H18N2O/c18-10-8-14(17-12-5-6-12)15-13-4-2-1-3-11(13)7-9-16-15/h1-4,7,9,12,14,17-18H,5-6,8,10H2/t14-/m0/s1
InChIKeyCAXATLMYAYWTEM-AWEZNQCLSA-N
MW242.32 g/mol
LogP2.41
Rot. Bonds5

About (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol

(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol (PubChem CID 97169758) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol
PubChem CID97169758
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol
SMILESOCC[C@H](NC1CC1)c1nccc2ccccc12
InChIInChI=1S/C15H18N2O/c18-10-8-14(17-12-5-6-12)15-13-4-2-1-3-11(13)7-9-16-15/h1-4,7,9,12,14,17-18H,5-6,8,10H2/t14-/m0/s1
InChIKeyCAXATLMYAYWTEM-AWEZNQCLSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol 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

(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
(3R)-3-(2-chloro-4-pyridinyl)-3-(cyclopropylamino)propan-1-ol
CID 97169743
(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
1-isoquinolin-1-yl-3-piperidin-4-ylpentane-1,5-diol
CID 56606919
2-(cyclopropylamino)-2-isoquinolin-4-ylethanol
CID 113420191
2-(cyclohexylamino)-2-naphthalen-1-ylethanol
CID 61047481
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
2-(cyclopropylamino)-2-quinolin-8-ylethanol
CID 63970835

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol?
The IUPAC name of (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol (CID 97169758) is (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol?
The canonical SMILES for (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol is OCC[C@H](NC1CC1)c1nccc2ccccc12.
What is the InChIKey of (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol?
The InChIKey is CAXATLMYAYWTEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O/c18-10-8-14(17-12-5-6-12)15-13-4-2-1-3-11(13)7-9-16-15/h1-4,7,9,12,14,17-18H,5-6,8,10H2/t14-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol?
(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol is sourced from PubChem (CID 97169758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).