5,6,7,8-tetrahydroquinoline-2,3-diamine

C9H13N3 — CID 23122564

IUPAC5,6,7,8-tetrahydroquinoline-2,3-diamine
SMILESNc1cc2c(nc1N)CCCC2
InChIInChI=1S/C9H13N3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h5H,1-4,10H2,(H2,11,12)
InChIKeyRTODMYICZWDUMT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.12
Rot. Bonds

About 5,6,7,8-tetrahydroquinoline-2,3-diamine

5,6,7,8-tetrahydroquinoline-2,3-diamine (PubChem CID 23122564) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinoline-2,3-diamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinoline-2,3-diamine
PubChem CID23122564
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5,6,7,8-tetrahydroquinoline-2,3-diamine
SMILESNc1cc2c(nc1N)CCCC2
InChIInChI=1S/C9H13N3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h5H,1-4,10H2,(H2,11,12)
InChIKeyRTODMYICZWDUMT-UHFFFAOYSA-N
XLogP1.12
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinoline-2,3-diamine?
The IUPAC name of 5,6,7,8-tetrahydroquinoline-2,3-diamine (CID 23122564) is 5,6,7,8-tetrahydroquinoline-2,3-diamine.
What is the SMILES notation for 5,6,7,8-tetrahydroquinoline-2,3-diamine?
The canonical SMILES for 5,6,7,8-tetrahydroquinoline-2,3-diamine is Nc1cc2c(nc1N)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinoline-2,3-diamine?
The InChIKey is RTODMYICZWDUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h5H,1-4,10H2,(H2,11,12).
What are the key properties of 5,6,7,8-tetrahydroquinoline-2,3-diamine?
5,6,7,8-tetrahydroquinoline-2,3-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinoline-2,3-diamine is sourced from PubChem (CID 23122564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).