3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol

C14H18N2O — CID 81413794

IUPAC3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cccc2cnccc12
InChIInChI=1S/C14H18N2O/c1-14(2,10-17)9-16-13-5-3-4-11-8-15-7-6-12(11)13/h3-8,16-17H,9-10H2,1-2H3
InChIKeyZPSMWMRCSFVQIB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.67
Rot. Bonds4

About 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol

3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol (PubChem CID 81413794) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
PubChem CID81413794
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1cccc2cnccc12
InChIInChI=1S/C14H18N2O/c1-14(2,10-17)9-16-13-5-3-4-11-8-15-7-6-12(11)13/h3-8,16-17H,9-10H2,1-2H3
InChIKeyZPSMWMRCSFVQIB-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-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

2-ethyl-2-[(isoquinolin-5-ylamino)methyl]butan-1-ol
CID 81412423
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
5-[(5-aminoisoquinolin-6-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141358
N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
CID 116534270
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
3-(isoquinolin-5-ylcarbamoylamino)-3-methylbutanoic acid
CID 64701832

Frequently Asked Questions

What is the IUPAC name of 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol (CID 81413794) is 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1cccc2cnccc12.
What is the InChIKey of 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is ZPSMWMRCSFVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,10-17)9-16-13-5-3-4-11-8-15-7-6-12(11)13/h3-8,16-17H,9-10H2,1-2H3.
What are the key properties of 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol?
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81413794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).