1-quinolin-8-ylethane-1,2-diamine

C11H13N3 — CID 63968089

IUPAC1-quinolin-8-ylethane-1,2-diamine
SMILESNCC(N)c1cccc2cccnc12
InChIInChI=1S/C11H13N3/c12-7-10(13)9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H,7,12-13H2
InChIKeyGZXSQOCIMXHNPC-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.19
Rot. Bonds2

About 1-quinolin-8-ylethane-1,2-diamine

1-quinolin-8-ylethane-1,2-diamine (PubChem CID 63968089) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-quinolin-8-ylethane-1,2-diamine
PubChem CID63968089
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-quinolin-8-ylethane-1,2-diamine
SMILESNCC(N)c1cccc2cccnc12
InChIInChI=1S/C11H13N3/c12-7-10(13)9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H,7,12-13H2
InChIKeyGZXSQOCIMXHNPC-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

1-quinolin-8-ylbutan-1-amine
CID 79016206
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
1-quinolin-8-ylhexan-1-amine
CID 105021327
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
1-quinolin-8-yl-2-thiophen-2-ylethanamine
CID 81231172
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
CID 105172449
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of 1-quinolin-8-ylethane-1,2-diamine (CID 63968089) is 1-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for 1-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for 1-quinolin-8-ylethane-1,2-diamine is NCC(N)c1cccc2cccnc12.
What is the InChIKey of 1-quinolin-8-ylethane-1,2-diamine?
The InChIKey is GZXSQOCIMXHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-10(13)9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H,7,12-13H2.
What are the key properties of 1-quinolin-8-ylethane-1,2-diamine?
1-quinolin-8-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-8-ylethane-1,2-diamine is sourced from PubChem (CID 63968089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).