5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C12H17N — CID 12924815

IUPAC5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(C)c2c1CCC(N)C2
InChIInChI=1S/C12H17N/c1-8-3-4-9(2)12-7-10(13)5-6-11(8)12/h3-4,10H,5-7,13H2,1-2H3
InChIKeyCBYCCJJQUYSQMA-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.12
Rot. Bonds

About 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12924815) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12924815
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1ccc(C)c2c1CCC(N)C2
InChIInChI=1S/C12H17N/c1-8-3-4-9(2)12-7-10(13)5-6-11(8)12/h3-4,10H,5-7,13H2,1-2H3
InChIKeyCBYCCJJQUYSQMA-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12924815) is 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1ccc(C)c2c1CCC(N)C2.
What is the InChIKey of 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is CBYCCJJQUYSQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-3-4-9(2)12-7-10(13)5-6-11(8)12/h3-4,10H,5-7,13H2,1-2H3.
What are the key properties of 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 175.28 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12924815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).