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

C13H17N3 — CID 114900586

IUPACN'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
SMILESCCN(CCN)c1cccc2cccnc12
InChIInChI=1S/C13H17N3/c1-2-16(10-8-14)12-7-3-5-11-6-4-9-15-13(11)12/h3-7,9H,2,8,10,14H2,1H3
InChIKeyHDNQEPQMEKQZMA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds4

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

N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine (PubChem CID 114900586) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
PubChem CID114900586
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
SMILESCCN(CCN)c1cccc2cccnc12
InChIInChI=1S/C13H17N3/c1-2-16(10-8-14)12-7-3-5-11-6-4-9-15-13(11)12/h3-7,9H,2,8,10,14H2,1H3
InChIKeyHDNQEPQMEKQZMA-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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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine (CID 114900586) is N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine is CCN(CCN)c1cccc2cccnc12.
What is the InChIKey of N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine?
The InChIKey is HDNQEPQMEKQZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-16(10-8-14)12-7-3-5-11-6-4-9-15-13(11)12/h3-7,9H,2,8,10,14H2,1H3.
What are the key properties of N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine?
N'-ethyl-N'-quinolin-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'-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 114900586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).