N,7-dimethylnaphthalen-2-amine

C12H13N — CID 59724488

IUPACN,7-dimethylnaphthalen-2-amine
SMILESCNc1ccc2ccc(C)cc2c1
InChIInChI=1S/C12H13N/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h3-8,13H,1-2H3
InChIKeyDTKXTOZWOXBURL-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.19
Rot. Bonds1

About N,7-dimethylnaphthalen-2-amine

N,7-dimethylnaphthalen-2-amine (PubChem CID 59724488) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is N,7-dimethylnaphthalen-2-amine.

Molecular Properties

Compound NameN,7-dimethylnaphthalen-2-amine
PubChem CID59724488
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC NameN,7-dimethylnaphthalen-2-amine
SMILESCNc1ccc2ccc(C)cc2c1
InChIInChI=1S/C12H13N/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h3-8,13H,1-2H3
InChIKeyDTKXTOZWOXBURL-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethylnaphthalen-2-amine?
The IUPAC name of N,7-dimethylnaphthalen-2-amine (CID 59724488) is N,7-dimethylnaphthalen-2-amine.
What is the SMILES notation for N,7-dimethylnaphthalen-2-amine?
The canonical SMILES for N,7-dimethylnaphthalen-2-amine is CNc1ccc2ccc(C)cc2c1.
What is the InChIKey of N,7-dimethylnaphthalen-2-amine?
The InChIKey is DTKXTOZWOXBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h3-8,13H,1-2H3.
What are the key properties of N,7-dimethylnaphthalen-2-amine?
N,7-dimethylnaphthalen-2-amine has a molecular weight of 171.24 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethylnaphthalen-2-amine is sourced from PubChem (CID 59724488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).