N-butyl-N,7-dimethylisoquinolin-1-amine

C15H20N2 — CID 142242673

IUPACN-butyl-N,7-dimethylisoquinolin-1-amine
SMILESCCCCN(C)c1nccc2ccc(C)cc12
InChIInChI=1S/C15H20N2/c1-4-5-10-17(3)15-14-11-12(2)6-7-13(14)8-9-16-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNSLUYAKKHLIUPF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.78
Rot. Bonds4

About N-butyl-N,7-dimethylisoquinolin-1-amine

N-butyl-N,7-dimethylisoquinolin-1-amine (PubChem CID 142242673) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-N,7-dimethylisoquinolin-1-amine.

Molecular Properties

Compound NameN-butyl-N,7-dimethylisoquinolin-1-amine
PubChem CID142242673
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-butyl-N,7-dimethylisoquinolin-1-amine
SMILESCCCCN(C)c1nccc2ccc(C)cc12
InChIInChI=1S/C15H20N2/c1-4-5-10-17(3)15-14-11-12(2)6-7-13(14)8-9-16-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNSLUYAKKHLIUPF-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,7-dimethylisoquinolin-1-amine?
The IUPAC name of N-butyl-N,7-dimethylisoquinolin-1-amine (CID 142242673) is N-butyl-N,7-dimethylisoquinolin-1-amine.
What is the SMILES notation for N-butyl-N,7-dimethylisoquinolin-1-amine?
The canonical SMILES for N-butyl-N,7-dimethylisoquinolin-1-amine is CCCCN(C)c1nccc2ccc(C)cc12.
What is the InChIKey of N-butyl-N,7-dimethylisoquinolin-1-amine?
The InChIKey is NSLUYAKKHLIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-5-10-17(3)15-14-11-12(2)6-7-13(14)8-9-16-15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-N,7-dimethylisoquinolin-1-amine?
N-butyl-N,7-dimethylisoquinolin-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,7-dimethylisoquinolin-1-amine is sourced from PubChem (CID 142242673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).