N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C17H26N4 — CID 102997412

IUPACN'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc(CN)cc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-21(11-7-10-20(2)3)17-16-9-6-5-8-14(16)12-15(13-18)19-17/h5-6,8-9,12H,4,7,10-11,13,18H2,1-3H3
InChIKeyKUVTVSQTIMKHFA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds7

About N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102997412) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102997412
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc(CN)cc2ccccc12
InChIInChI=1S/C17H26N4/c1-4-21(11-7-10-20(2)3)17-16-9-6-5-8-14(16)12-15(13-18)19-17/h5-6,8-9,12H,4,7,10-11,13,18H2,1-3H3
InChIKeyKUVTVSQTIMKHFA-UHFFFAOYSA-N
XLogP2.47
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 55054975
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylisoquinolin-1-amine
CID 63938907
3-(aminomethyl)-N-methyl-N-pentylisoquinolin-1-amine
CID 62298772
N-butyl-N-ethyl-3-(methylaminomethyl)isoquinolin-1-amine
CID 62286338
3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
CID 62299999
[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
CID 61255400
3-(chloromethyl)-N-ethyl-N-propylisoquinolin-1-amine
CID 61255556
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333
[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
CID 63699924
3-(aminomethyl)-N-ethyl-N-propan-2-ylisoquinolin-1-amine
CID 62299466
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 55054502

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102997412) is N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1nc(CN)cc2ccccc12.
What is the InChIKey of N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is KUVTVSQTIMKHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-21(11-7-10-20(2)3)17-16-9-6-5-8-14(16)12-15(13-18)19-17/h5-6,8-9,12H,4,7,10-11,13,18H2,1-3H3.
What are the key properties of N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)isoquinolin-1-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102997412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).