2-isoquinolin-1-yl-2-methylpropan-1-amine

C13H16N2 — CID 116995215

IUPAC2-isoquinolin-1-yl-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nccc2ccccc12
InChIInChI=1S/C13H16N2/c1-13(2,9-14)12-11-6-4-3-5-10(11)7-8-15-12/h3-8H,9,14H2,1-2H3
InChIKeyBZNXDVIOIKYDBV-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.47
Rot. Bonds2

About 2-isoquinolin-1-yl-2-methylpropan-1-amine

2-isoquinolin-1-yl-2-methylpropan-1-amine (PubChem CID 116995215) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-isoquinolin-1-yl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-1-yl-2-methylpropan-1-amine
PubChem CID116995215
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-isoquinolin-1-yl-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nccc2ccccc12
InChIInChI=1S/C13H16N2/c1-13(2,9-14)12-11-6-4-3-5-10(11)7-8-15-12/h3-8H,9,14H2,1-2H3
InChIKeyBZNXDVIOIKYDBV-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-difluoroethyl)isoquinoline
CID 150195084
2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine
CID 116995467
1-(1,1,2,2,3,3,3-heptafluoropropyl)isoquinoline
CID 12507585
2-ethyl-2-isoquinolin-1-yl-3,3-dimethylbutanamide
CID 135329525
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)isoquinoline
CID 12507587
ethane;isoquinolin-1-ylmethanamine
CID 145267324
1-(1-chloro-2-methyl-1-phenylpropyl)isoquinoline
CID 163213075
2-(3,8-dimethylquinolin-2-yl)-2-methylpropan-1-amine
CID 84625527
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
3-N-isoquinolin-1-yl-3-methylpentane-1,3-diamine
CID 106166124
ethane;isoquinolin-1-ylhydrazine
CID 142316933
2-(3-methoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 104516755

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-1-yl-2-methylpropan-1-amine?
The IUPAC name of 2-isoquinolin-1-yl-2-methylpropan-1-amine (CID 116995215) is 2-isoquinolin-1-yl-2-methylpropan-1-amine.
What is the SMILES notation for 2-isoquinolin-1-yl-2-methylpropan-1-amine?
The canonical SMILES for 2-isoquinolin-1-yl-2-methylpropan-1-amine is CC(C)(CN)c1nccc2ccccc12.
What is the InChIKey of 2-isoquinolin-1-yl-2-methylpropan-1-amine?
The InChIKey is BZNXDVIOIKYDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2,9-14)12-11-6-4-3-5-10(11)7-8-15-12/h3-8H,9,14H2,1-2H3.
What are the key properties of 2-isoquinolin-1-yl-2-methylpropan-1-amine?
2-isoquinolin-1-yl-2-methylpropan-1-amine has a molecular weight of 200.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-1-yl-2-methylpropan-1-amine is sourced from PubChem (CID 116995215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).