1-quinolin-5-ylethane-1,2-diamine

C11H13N3 — CID 55275195

IUPAC1-quinolin-5-ylethane-1,2-diamine
SMILESNCC(N)c1cccc2ncccc12
InChIInChI=1S/C11H13N3/c12-7-10(13)8-3-1-5-11-9(8)4-2-6-14-11/h1-6,10H,7,12-13H2
InChIKeyYNYFFGGOSFJCBG-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.19
Rot. Bonds2

About 1-quinolin-5-ylethane-1,2-diamine

1-quinolin-5-ylethane-1,2-diamine (PubChem CID 55275195) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-quinolin-5-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-quinolin-5-ylethane-1,2-diamine
PubChem CID55275195
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-quinolin-5-ylethane-1,2-diamine
SMILESNCC(N)c1cccc2ncccc12
InChIInChI=1S/C11H13N3/c12-7-10(13)8-3-1-5-11-9(8)4-2-6-14-11/h1-6,10H,7,12-13H2
InChIKeyYNYFFGGOSFJCBG-UHFFFAOYSA-N
XLogP1.19
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
(1R)-1-quinolin-5-ylethanamine
CID 55277010
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
1-quinolin-5-ylpent-4-en-1-amine
CID 105153398
N',N'-dimethyl-1-quinolin-5-ylpropane-1,3-diamine
CID 113291189
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229156
1-quinolin-8-ylethane-1,2-diamine
CID 63968089

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-ylethane-1,2-diamine?
The IUPAC name of 1-quinolin-5-ylethane-1,2-diamine (CID 55275195) is 1-quinolin-5-ylethane-1,2-diamine.
What is the SMILES notation for 1-quinolin-5-ylethane-1,2-diamine?
The canonical SMILES for 1-quinolin-5-ylethane-1,2-diamine is NCC(N)c1cccc2ncccc12.
What is the InChIKey of 1-quinolin-5-ylethane-1,2-diamine?
The InChIKey is YNYFFGGOSFJCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-10(13)8-3-1-5-11-9(8)4-2-6-14-11/h1-6,10H,7,12-13H2.
What are the key properties of 1-quinolin-5-ylethane-1,2-diamine?
1-quinolin-5-ylethane-1,2-diamine has a molecular weight of 187.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-ylethane-1,2-diamine is sourced from PubChem (CID 55275195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).