4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine

C12H18N2 — CID 126516535

IUPAC4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine
SMILESCC1=CC(C)C(N)C2=NC=CC(C)C12
InChIInChI=1S/C12H18N2/c1-7-4-5-14-12-10(7)8(2)6-9(3)11(12)13/h4-7,9-11H,13H2,1-3H3
InChIKeyQUTDGLZIVKVNDK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.13
Rot. Bonds

About 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine

4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine (PubChem CID 126516535) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine
PubChem CID126516535
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine
SMILESCC1=CC(C)C(N)C2=NC=CC(C)C12
InChIInChI=1S/C12H18N2/c1-7-4-5-14-12-10(7)8(2)6-9(3)11(12)13/h4-7,9-11H,13H2,1-3H3
InChIKeyQUTDGLZIVKVNDK-UHFFFAOYSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.13
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 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine (CID 126516535) is 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine is CC1=CC(C)C(N)C2=NC=CC(C)C12.
What is the InChIKey of 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine?
The InChIKey is QUTDGLZIVKVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-7-4-5-14-12-10(7)8(2)6-9(3)11(12)13/h4-7,9-11H,13H2,1-3H3.
What are the key properties of 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine?
4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine has a molecular weight of 190.29 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-4,4a,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 126516535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).