N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine

C14H19N3 — CID 113378121

IUPACN-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine
SMILESCCNCc1cc2ccccc2c(NCC)n1
InChIInChI=1S/C14H19N3/c1-3-15-10-12-9-11-7-5-6-8-13(11)14(17-12)16-4-2/h5-9,15H,3-4,10H2,1-2H3,(H,16,17)
InChIKeySHXIWRMTUUPEMO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine

N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine (PubChem CID 113378121) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine
PubChem CID113378121
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine
SMILESCCNCc1cc2ccccc2c(NCC)n1
InChIInChI=1S/C14H19N3/c1-3-15-10-12-9-11-7-5-6-8-13(11)14(17-12)16-4-2/h5-9,15H,3-4,10H2,1-2H3,(H,16,17)
InChIKeySHXIWRMTUUPEMO-UHFFFAOYSA-N
XLogP2.78
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-methylpropan-2-yl)oxy]isoquinolin-3-yl]methyl]ethanamine
CID 62292555
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 62291335
3-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)isoquinolin-1-amine
CID 62283844
N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine
CID 62283095
N-[(1-pent-4-enoxyisoquinolin-3-yl)methyl]ethanamine
CID 79112680
N-[[1-(3-methylbut-3-enoxy)isoquinolin-3-yl]methyl]ethanamine
CID 114470490
N-[[1-(4,5-dimethylimidazol-1-yl)isoquinolin-3-yl]methyl]ethanamine
CID 62351846
(3-ethylisoquinolin-1-yl)hydrazine
CID 153410703
N-[[1-[(2-methylpropan-2-yl)oxy]isoquinolin-3-yl]methyl]propan-1-amine
CID 62292556
N-[[1-(2-cyclopropylethoxy)isoquinolin-3-yl]methyl]ethanamine
CID 106205344
N-[[1-(2-methylpentoxy)isoquinolin-3-yl]methyl]ethanamine
CID 103285490
N-[[1-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-3-yl]methyl]ethanamine
CID 81337691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine (CID 113378121) is N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine is CCNCc1cc2ccccc2c(NCC)n1.
What is the InChIKey of N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine?
The InChIKey is SHXIWRMTUUPEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-15-10-12-9-11-7-5-6-8-13(11)14(17-12)16-4-2/h5-9,15H,3-4,10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine?
N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 113378121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).