N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine

C18H26N2 — CID 81033755

IUPACN-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1cccc2cnccc12
InChIInChI=1S/C18H26N2/c1-17(2,3)20-12-10-18(4,5)16-8-6-7-14-13-19-11-9-15(14)16/h6-9,11,13,20H,10,12H2,1-5H3
InChIKeySQFZGYQOHOJSDB-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.29
Rot. Bonds4

About N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine

N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine (PubChem CID 81033755) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
PubChem CID81033755
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1cccc2cnccc12
InChIInChI=1S/C18H26N2/c1-17(2,3)20-12-10-18(4,5)16-8-6-7-14-13-19-11-9-15(14)16/h6-9,11,13,20H,10,12H2,1-5H3
InChIKeySQFZGYQOHOJSDB-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
4-(tert-butylamino)-2-isoquinolin-4-ylbutan-2-ol
CID 66001660
N'-tert-butyl-N-isoquinolin-8-ylethane-1,2-diamine
CID 107445864
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
4-(2-methylpentan-2-yl)isoquinoline
CID 139319427
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine (CID 81033755) is N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine is CC(C)(C)NCCC(C)(C)c1cccc2cnccc12.
What is the InChIKey of N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine?
The InChIKey is SQFZGYQOHOJSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-17(2,3)20-12-10-18(4,5)16-8-6-7-14-13-19-11-9-15(14)16/h6-9,11,13,20H,10,12H2,1-5H3.
What are the key properties of N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine?
N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine is sourced from PubChem (CID 81033755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).