3,4,6,7-tetrahydroquinolin-5-amine

C9H12N2 — CID 155106083

IUPAC3,4,6,7-tetrahydroquinolin-5-amine
SMILESNC1=C2CCC=NC2=CCC1
InChIInChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h5-6H,1-4,10H2
InChIKeyKUDFNHVKUBEFOT-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.74
Rot. Bonds

About 3,4,6,7-tetrahydroquinolin-5-amine

3,4,6,7-tetrahydroquinolin-5-amine (PubChem CID 155106083) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,4,6,7-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name3,4,6,7-tetrahydroquinolin-5-amine
PubChem CID155106083
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,4,6,7-tetrahydroquinolin-5-amine
SMILESNC1=C2CCC=NC2=CCC1
InChIInChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h5-6H,1-4,10H2
InChIKeyKUDFNHVKUBEFOT-UHFFFAOYSA-N
XLogP1.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123137253
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CID 123685681
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CID 129144954
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CID 135245090
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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydroquinolin-5-amine?
The IUPAC name of 3,4,6,7-tetrahydroquinolin-5-amine (CID 155106083) is 3,4,6,7-tetrahydroquinolin-5-amine.
What is the SMILES notation for 3,4,6,7-tetrahydroquinolin-5-amine?
The canonical SMILES for 3,4,6,7-tetrahydroquinolin-5-amine is NC1=C2CCC=NC2=CCC1.
What is the InChIKey of 3,4,6,7-tetrahydroquinolin-5-amine?
The InChIKey is KUDFNHVKUBEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h5-6H,1-4,10H2.
What are the key properties of 3,4,6,7-tetrahydroquinolin-5-amine?
3,4,6,7-tetrahydroquinolin-5-amine has a molecular weight of 148.21 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydroquinolin-5-amine is sourced from PubChem (CID 155106083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).