N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine

C13H17N3 — CID 103140755

IUPACN'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine
SMILESCCN(CCN)c1cccc2ccncc12
InChIInChI=1S/C13H17N3/c1-2-16(9-7-14)13-5-3-4-11-6-8-15-10-12(11)13/h3-6,8,10H,2,7,9,14H2,1H3
InChIKeySOCFTUGORDFUPX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds4

About N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine

N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine (PubChem CID 103140755) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine
PubChem CID103140755
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine
SMILESCCN(CCN)c1cccc2ccncc12
InChIInChI=1S/C13H17N3/c1-2-16(9-7-14)13-5-3-4-11-6-8-15-10-12(11)13/h3-6,8,10H,2,7,9,14H2,1H3
InChIKeySOCFTUGORDFUPX-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
CID 114900586
tert-butyl 3-[2-aminoethyl(isoquinolin-5-yl)amino]propanoate
CID 58824149
N'-ethyl-N'-quinolin-4-ylethane-1,2-diamine
CID 63765878
6-N-butyl-6-N-ethylisoquinoline-5,6-diamine
CID 106947469
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
3-[(8-aminoisoquinolin-5-yl)-ethylamino]propanenitrile
CID 54988845
N-ethyl-N-propylacridin-1-amine
CID 21107283
4-isoquinolin-8-ylbutan-1-amine
CID 82577641
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
isoquinolin-8-ol
CID 135441711

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine (CID 103140755) is N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine is CCN(CCN)c1cccc2ccncc12.
What is the InChIKey of N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine?
The InChIKey is SOCFTUGORDFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-16(9-7-14)13-5-3-4-11-6-8-15-10-12(11)13/h3-6,8,10H,2,7,9,14H2,1H3.
What are the key properties of N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine?
N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 103140755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).