N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

C16H24N4 — CID 115485894

IUPACN'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-19(2)9-6-10-20(3)12-13-11-15(17)14-7-4-5-8-16(14)18-13/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H2,17,18)
InChIKeyJDEBKWKTZOTISM-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.20
Rot. Bonds6

About N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 115485894) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID115485894
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C16H24N4/c1-19(2)9-6-10-20(3)12-13-11-15(17)14-7-4-5-8-16(14)18-13/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H2,17,18)
InChIKeyJDEBKWKTZOTISM-UHFFFAOYSA-N
XLogP2.20
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 115485894) is N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is JDEBKWKTZOTISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(2)9-6-10-20(3)12-13-11-15(17)14-7-4-5-8-16(14)18-13/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H2,17,18).
What are the key properties of N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115485894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).