N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine

C10H14N2 — CID 166648323

IUPACN-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine
SMILESCNC1=CC2C=CCCC2N=C1
InChIInChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2,4,6-8,10-11H,3,5H2,1H3
InChIKeyLLZSSPYKKMIQEV-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.51
Rot. Bonds1

About N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine

N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine (PubChem CID 166648323) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine.

Molecular Properties

Compound NameN-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine
PubChem CID166648323
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine
SMILESCNC1=CC2C=CCCC2N=C1
InChIInChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2,4,6-8,10-11H,3,5H2,1H3
InChIKeyLLZSSPYKKMIQEV-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine?
The IUPAC name of N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine (CID 166648323) is N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine.
What is the SMILES notation for N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine?
The canonical SMILES for N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine is CNC1=CC2C=CCCC2N=C1.
What is the InChIKey of N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine?
The InChIKey is LLZSSPYKKMIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2,4,6-8,10-11H,3,5H2,1H3.
What are the key properties of N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine?
N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine has a molecular weight of 162.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4a,7,8,8a-tetrahydroquinolin-3-amine is sourced from PubChem (CID 166648323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).