N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine

C23H24N4 — CID 67942505

IUPACN-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
SMILESc1ccc2c(NCCNCCNc3nccc4ccccc34)cccc2c1
InChIInChI=1S/C23H24N4/c1-3-9-20-18(6-1)8-5-11-22(20)25-16-14-24-15-17-27-23-21-10-4-2-7-19(21)12-13-26-23/h1-13,24-25H,14-17H2,(H,26,27)
InChIKeyYLEKPCBYYCCTJN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.50
Rot. Bonds8

About N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine

N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine (PubChem CID 67942505) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
PubChem CID67942505
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC NameN-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
SMILESc1ccc2c(NCCNCCNc3nccc4ccccc34)cccc2c1
InChIInChI=1S/C23H24N4/c1-3-9-20-18(6-1)8-5-11-22(20)25-16-14-24-15-17-27-23-21-10-4-2-7-19(21)12-13-26-23/h1-13,24-25H,14-17H2,(H,26,27)
InChIKeyYLEKPCBYYCCTJN-UHFFFAOYSA-N
XLogP4.50
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-[2-[(6-chloroquinazolin-4-yl)amino]ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942524
N'-[4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 135268215
N-isoquinolin-1-yl-N',N'-dimethylethane-1,2-diamine;dihydrate;dihydrobromide
CID 51057783
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
CID 67942644
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
CID 118724860
3-[2-(isoquinolin-1-ylamino)ethylsulfanyl]propan-1-ol
CID 106307359
N-(2-but-3-enoxyethyl)isoquinolin-1-amine
CID 106405181
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763

Frequently Asked Questions

What is the IUPAC name of N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
The IUPAC name of N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine (CID 67942505) is N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine is c1ccc2c(NCCNCCNc3nccc4ccccc34)cccc2c1.
What is the InChIKey of N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
The InChIKey is YLEKPCBYYCCTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-3-9-20-18(6-1)8-5-11-22(20)25-16-14-24-15-17-27-23-21-10-4-2-7-19(21)12-13-26-23/h1-13,24-25H,14-17H2,(H,26,27).
What are the key properties of N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine?
N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine has a molecular weight of 356.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine is sourced from PubChem (CID 67942505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).