N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine

C16H24N4 — CID 106776207

IUPACN'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C16H24N4/c1-19(2)9-6-10-20(3)16-15-8-5-4-7-14(15)13(11-17)12-18-16/h4-5,7-8,12H,6,9-11,17H2,1-3H3
InChIKeyNRELAAIJJAJOPM-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.08
Rot. Bonds6

About N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 106776207) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID106776207
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ncc(CN)c2ccccc12
InChIInChI=1S/C16H24N4/c1-19(2)9-6-10-20(3)16-15-8-5-4-7-14(15)13(11-17)12-18-16/h4-5,7-8,12H,6,9-11,17H2,1-3H3
InChIKeyNRELAAIJJAJOPM-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
4-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylisoquinolin-1-amine
CID 106776497
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)isoquinolin-1-amine
CID 106775528
4-(aminomethyl)-N-cyclopentyl-N-methylisoquinolin-1-amine
CID 106775058
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822
N'-[4-(aminomethyl)pyridazin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80508976
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 106776207) is N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1ncc(CN)c2ccccc12.
What is the InChIKey of N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is NRELAAIJJAJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(2)9-6-10-20(3)16-15-8-5-4-7-14(15)13(11-17)12-18-16/h4-5,7-8,12H,6,9-11,17H2,1-3H3.
What are the key properties of N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106776207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).