1,2,3,4-tetrahydroquinolin-7-amine

C9H12N2 — CID 15219619

IUPAC1,2,3,4-tetrahydroquinolin-7-amine
SMILESNc1ccc2c(c1)NCCC2
InChIInChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5,10H2
InChIKeyMAPBYCTYIMFIBU-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds

About 1,2,3,4-tetrahydroquinolin-7-amine

1,2,3,4-tetrahydroquinolin-7-amine (PubChem CID 15219619) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-7-amine
PubChem CID15219619
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,2,3,4-tetrahydroquinolin-7-amine
SMILESNc1ccc2c(c1)NCCC2
InChIInChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5,10H2
InChIKeyMAPBYCTYIMFIBU-UHFFFAOYSA-N
XLogP1.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-7-amine?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-7-amine (CID 15219619) is 1,2,3,4-tetrahydroquinolin-7-amine.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-7-amine?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-7-amine is Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-7-amine?
The InChIKey is MAPBYCTYIMFIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5,10H2.
What are the key properties of 1,2,3,4-tetrahydroquinolin-7-amine?
1,2,3,4-tetrahydroquinolin-7-amine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-7-amine is sourced from PubChem (CID 15219619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).