5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C12H17N — CID 55291712

IUPAC5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cc(C)c2c(c1)CC(N)CC2
InChIInChI=1S/C12H17N/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-6,11H,3-4,7,13H2,1-2H3
InChIKeyBJKKYYCINNPGGG-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.12
Rot. Bonds

About 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55291712) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55291712
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1cc(C)c2c(c1)CC(N)CC2
InChIInChI=1S/C12H17N/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-6,11H,3-4,7,13H2,1-2H3
InChIKeyBJKKYYCINNPGGG-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 ≤ 500175.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55291712) is 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1cc(C)c2c(c1)CC(N)CC2.
What is the InChIKey of 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BJKKYYCINNPGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h5-6,11H,3-4,7,13H2,1-2H3.
What are the key properties of 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 175.27 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 5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55291712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).