N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine

C16H23N3 — CID 79086923

IUPACN',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccc2cnccc12
InChIInChI=1S/C16H23N3/c1-3-19(4-2)11-9-16(17)15-7-5-6-13-12-18-10-8-14(13)15/h5-8,10,12,16H,3-4,9,11,17H2,1-2H3
InChIKeyINCSWBQXRHEMAI-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.97
Rot. Bonds6

About N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine

N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine (PubChem CID 79086923) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
PubChem CID79086923
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccc2cnccc12
InChIInChI=1S/C16H23N3/c1-3-19(4-2)11-9-16(17)15-7-5-6-13-12-18-10-8-14(13)15/h5-8,10,12,16H,3-4,9,11,17H2,1-2H3
InChIKeyINCSWBQXRHEMAI-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184
N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
CID 105244064
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55119046
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
(1-ethylcyclopentyl)-isoquinolin-5-ylmethanamine
CID 115853123

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine (CID 79086923) is N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine is CCN(CC)CCC(N)c1cccc2cnccc12.
What is the InChIKey of N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine?
The InChIKey is INCSWBQXRHEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19(4-2)11-9-16(17)15-7-5-6-13-12-18-10-8-14(13)15/h5-8,10,12,16H,3-4,9,11,17H2,1-2H3.
What are the key properties of N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine?
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine is sourced from PubChem (CID 79086923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).