N'-quinolin-2-ylethane-1,2-diamine

C11H13N3 — CID 10535588

IUPACN'-quinolin-2-ylethane-1,2-diamine
SMILESNCCNc1ccc2ccccc2n1
InChIInChI=1S/C11H13N3/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8,12H2,(H,13,14)
InChIKeyZETBPZAUNUEYSV-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.61
Rot. Bonds3

About N'-quinolin-2-ylethane-1,2-diamine

N'-quinolin-2-ylethane-1,2-diamine (PubChem CID 10535588) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N'-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-quinolin-2-ylethane-1,2-diamine
PubChem CID10535588
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN'-quinolin-2-ylethane-1,2-diamine
SMILESNCCNc1ccc2ccccc2n1
InChIInChI=1S/C11H13N3/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8,12H2,(H,13,14)
InChIKeyZETBPZAUNUEYSV-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N'-quinolin-2-ylethane-1,2-diamine (CID 10535588) is N'-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-quinolin-2-ylethane-1,2-diamine is NCCNc1ccc2ccccc2n1.
What is the InChIKey of N'-quinolin-2-ylethane-1,2-diamine?
The InChIKey is ZETBPZAUNUEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)14-11/h1-6H,7-8,12H2,(H,13,14).
What are the key properties of N'-quinolin-2-ylethane-1,2-diamine?
N'-quinolin-2-ylethane-1,2-diamine has a molecular weight of 187.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 10535588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).