1,2-dihydroquinolin-5-amine

C9H10N2 — CID 141205305

IUPAC1,2-dihydroquinolin-5-amine
SMILESNc1cccc2c1C=CCN2
InChIInChI=1S/C9H10N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-5,11H,6,10H2
InChIKeyFIECSQNDCLSDDK-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.71
Rot. Bonds

About 1,2-dihydroquinolin-5-amine

1,2-dihydroquinolin-5-amine (PubChem CID 141205305) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,2-dihydroquinolin-5-amine.

Molecular Properties

Compound Name1,2-dihydroquinolin-5-amine
PubChem CID141205305
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1,2-dihydroquinolin-5-amine
SMILESNc1cccc2c1C=CCN2
InChIInChI=1S/C9H10N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-5,11H,6,10H2
InChIKeyFIECSQNDCLSDDK-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.71
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-dihydroquinolin-5-amine?
The IUPAC name of 1,2-dihydroquinolin-5-amine (CID 141205305) is 1,2-dihydroquinolin-5-amine.
What is the SMILES notation for 1,2-dihydroquinolin-5-amine?
The canonical SMILES for 1,2-dihydroquinolin-5-amine is Nc1cccc2c1C=CCN2.
What is the InChIKey of 1,2-dihydroquinolin-5-amine?
The InChIKey is FIECSQNDCLSDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-5,11H,6,10H2.
What are the key properties of 1,2-dihydroquinolin-5-amine?
1,2-dihydroquinolin-5-amine has a molecular weight of 146.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroquinolin-5-amine is sourced from PubChem (CID 141205305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).