1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine

C19H28N2 — CID 103135986

IUPAC1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cccc2ccncc12
InChIInChI=1S/C19H28N2/c1-14(12-19(2,3)4)11-18(20-5)16-8-6-7-15-9-10-21-13-17(15)16/h6-10,13-14,18,20H,11-12H2,1-5H3
InChIKeyQDGAOBVILJIYEW-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.96
Rot. Bonds5

About 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine

1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 103135986) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
PubChem CID103135986
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cccc2ccncc12
InChIInChI=1S/C19H28N2/c1-14(12-19(2,3)4)11-18(20-5)16-8-6-7-15-9-10-21-13-17(15)16/h6-10,13-14,18,20H,11-12H2,1-5H3
InChIKeyQDGAOBVILJIYEW-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
3-cyclopentyl-1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103137487
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
CID 103137904
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine (CID 103135986) is 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is QDGAOBVILJIYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(12-19(2,3)4)11-18(20-5)16-8-6-7-15-9-10-21-13-17(15)16/h6-10,13-14,18,20H,11-12H2,1-5H3.
What are the key properties of 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine?
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 103135986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).