3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine

C14H18N2 — CID 82576951

IUPAC3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1cccc2cnccc12
InChIInChI=1S/C14H18N2/c1-14(2,10-15)8-11-4-3-5-12-9-16-7-6-13(11)12/h3-7,9H,8,10,15H2,1-2H3
InChIKeyQVRMDWXSOJEXCA-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.76
Rot. Bonds3

About 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine

3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine (PubChem CID 82576951) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
PubChem CID82576951
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1cccc2cnccc12
InChIInChI=1S/C14H18N2/c1-14(2,10-15)8-11-4-3-5-12-9-16-7-6-13(11)12/h3-7,9H,8,10,15H2,1-2H3
InChIKeyQVRMDWXSOJEXCA-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloroisoquinolin-5-yl)-2,2-dimethylpropan-1-amine
CID 82576965
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
CID 79646274
2-isoquinolin-5-ylacetamide
CID 68785768
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
3-isoquinolin-5-ylpropanamide
CID 82578287
ethane;isoquinolin-5-amine
CID 143675367
N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine
CID 64505408
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
4-bromo-N-(isoquinolin-5-ylmethyl)aniline
CID 62824422

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine (CID 82576951) is 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1cccc2cnccc12.
What is the InChIKey of 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine?
The InChIKey is QVRMDWXSOJEXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,10-15)8-11-4-3-5-12-9-16-7-6-13(11)12/h3-7,9H,8,10,15H2,1-2H3.
What are the key properties of 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine?
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 82576951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).