4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine

C16H23N3 — CID 106774928

IUPAC4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine
SMILESCN(C)c1ncc(CNC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-16(2,3)18-11-12-10-17-15(19(4)5)14-9-7-6-8-13(12)14/h6-10,18H,11H2,1-5H3
InChIKeyAXKAOPUEVYGJHB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds3

About 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine

4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine (PubChem CID 106774928) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine
PubChem CID106774928
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine
SMILESCN(C)c1ncc(CNC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-16(2,3)18-11-12-10-17-15(19(4)5)14-9-7-6-8-13(12)14/h6-10,18H,11H2,1-5H3
InChIKeyAXKAOPUEVYGJHB-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-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-methyl-N-[[1-(oxetan-3-yloxy)isoquinolin-4-yl]methyl]propan-2-amine
CID 106777577
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776918
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
CID 82572283
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106776820
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776535
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
N-butyl-N-ethyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106774846

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine (CID 106774928) is 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine is CN(C)c1ncc(CNC(C)(C)C)c2ccccc12.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine?
The InChIKey is AXKAOPUEVYGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)18-11-12-10-17-15(19(4)5)14-9-7-6-8-13(12)14/h6-10,18H,11H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine?
4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,N-dimethylisoquinolin-1-amine is sourced from PubChem (CID 106774928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).