N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine

C16H23N3 — CID 62285814

IUPACN-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
SMILESCCCCN(C)c1nc(CNC)cc2ccccc12
InChIInChI=1S/C16H23N3/c1-4-5-10-19(3)16-15-9-7-6-8-13(15)11-14(18-16)12-17-2/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyACKRGHAHYVTREM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds6

About N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine

N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine (PubChem CID 62285814) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
PubChem CID62285814
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
SMILESCCCCN(C)c1nc(CNC)cc2ccccc12
InChIInChI=1S/C16H23N3/c1-4-5-10-19(3)16-15-9-7-6-8-13(15)11-14(18-16)12-17-2/h6-9,11,17H,4-5,10,12H2,1-3H3
InChIKeyACKRGHAHYVTREM-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine (CID 62285814) is N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine is CCCCN(C)c1nc(CNC)cc2ccccc12.
What is the InChIKey of N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
The InChIKey is ACKRGHAHYVTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-5-10-19(3)16-15-9-7-6-8-13(15)11-14(18-16)12-17-2/h6-9,11,17H,4-5,10,12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 62285814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).