3,5,8,8a-tetrahydroquinolin-2-ylmethanamine

C10H14N2 — CID 57182520

IUPAC3,5,8,8a-tetrahydroquinolin-2-ylmethanamine
SMILESNCC1=NC2CC=CCC2=CC1
InChIInChI=1S/C10H14N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-2,5,10H,3-4,6-7,11H2
InChIKeyZZKWFCBKYPQYHM-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.43
Rot. Bonds1

About 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine

3,5,8,8a-tetrahydroquinolin-2-ylmethanamine (PubChem CID 57182520) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine.

Molecular Properties

Compound Name3,5,8,8a-tetrahydroquinolin-2-ylmethanamine
PubChem CID57182520
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3,5,8,8a-tetrahydroquinolin-2-ylmethanamine
SMILESNCC1=NC2CC=CCC2=CC1
InChIInChI=1S/C10H14N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-2,5,10H,3-4,6-7,11H2
InChIKeyZZKWFCBKYPQYHM-UHFFFAOYSA-N
XLogP1.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3,5,8,8a-tetrahydroquinoline
CID 53954316
3,5,8,8a-Tetrahydroquinoline
CID 54491121
2,3,5,6,7,8-Hexahydroquinolin-2-ylmethanamine
CID 68110921
3,5,8,8a-Tetrahydroquinolin-5-amine
CID 90810515
3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine
CID 123268711
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
2,3,5,6,7,8-Hexahydroquinolin-8-amine
CID 142260711

Frequently Asked Questions

What is the IUPAC name of 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine?
The IUPAC name of 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine (CID 57182520) is 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine.
What is the SMILES notation for 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine?
The canonical SMILES for 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine is NCC1=NC2CC=CCC2=CC1.
What is the InChIKey of 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine?
The InChIKey is ZZKWFCBKYPQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-2,5,10H,3-4,6-7,11H2.
What are the key properties of 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine?
3,5,8,8a-tetrahydroquinolin-2-ylmethanamine has a molecular weight of 162.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,8a-tetrahydroquinolin-2-ylmethanamine is sourced from PubChem (CID 57182520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).