4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H17N — CID 155465000

IUPAC4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc2c(c1)C(C)CCC2N
InChIInChI=1S/C12H17N/c1-8-3-5-10-11(7-8)9(2)4-6-12(10)13/h3,5,7,9,12H,4,6,13H2,1-2H3
InChIKeyAFNJYJIZQYPYKV-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.89
Rot. Bonds

About 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 155465000) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID155465000
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc2c(c1)C(C)CCC2N
InChIInChI=1S/C12H17N/c1-8-3-5-10-11(7-8)9(2)4-6-12(10)13/h3,5,7,9,12H,4,6,13H2,1-2H3
InChIKeyAFNJYJIZQYPYKV-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 155465000) is 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc2c(c1)C(C)CCC2N.
What is the InChIKey of 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AFNJYJIZQYPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-3-5-10-11(7-8)9(2)4-6-12(10)13/h3,5,7,9,12H,4,6,13H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 155465000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).