4a,8a-dihydro-2H-quinolin-1-amine

C9H12N2 — CID 134877001

IUPAC4a,8a-dihydro-2H-quinolin-1-amine
SMILESNN1CC=CC2C=CC=CC21
InChIInChI=1S/C9H12N2/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-6,8-9H,7,10H2
InChIKeyDMVFEHURGCWKTF-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.84
Rot. Bonds

About 4a,8a-dihydro-2H-quinolin-1-amine

4a,8a-dihydro-2H-quinolin-1-amine (PubChem CID 134877001) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4a,8a-dihydro-2H-quinolin-1-amine.

Molecular Properties

Compound Name4a,8a-dihydro-2H-quinolin-1-amine
PubChem CID134877001
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4a,8a-dihydro-2H-quinolin-1-amine
SMILESNN1CC=CC2C=CC=CC21
InChIInChI=1S/C9H12N2/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-6,8-9H,7,10H2
InChIKeyDMVFEHURGCWKTF-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,4a,8a-Tetrahydroquinolin-1-ium-1-amine iodide
CID 134877000
2,5,5a,9a-Tetrahydro-1-benzazepin-1-amine
CID 67037119
1-cyclohexa-2,4-dien-1-yl-1-[(2Z,4Z)-hepta-2,4,6-trienyl]hydrazine
CID 145159268
1-(6,6-Dimethylcyclohexa-2,4-dien-1-yl)-1-ethylhydrazine
CID 160907575
N,2-dimethyl-4a,8a-dihydro-2H-quinolin-1-amine
CID 163705288
(4aS)-3,4,4a,8a-tetrahydro-2H-quinolin-1-amine
CID 164057043
1-Cyclohexa-2,4-dien-1-yl-1-(cyclopropylmethyl)hydrazine
CID 164126065

Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydro-2H-quinolin-1-amine?
The IUPAC name of 4a,8a-dihydro-2H-quinolin-1-amine (CID 134877001) is 4a,8a-dihydro-2H-quinolin-1-amine.
What is the SMILES notation for 4a,8a-dihydro-2H-quinolin-1-amine?
The canonical SMILES for 4a,8a-dihydro-2H-quinolin-1-amine is NN1CC=CC2C=CC=CC21.
What is the InChIKey of 4a,8a-dihydro-2H-quinolin-1-amine?
The InChIKey is DMVFEHURGCWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-6,8-9H,7,10H2.
What are the key properties of 4a,8a-dihydro-2H-quinolin-1-amine?
4a,8a-dihydro-2H-quinolin-1-amine has a molecular weight of 148.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydro-2H-quinolin-1-amine is sourced from PubChem (CID 134877001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).