N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

C12H17N — CID 143968743

IUPACN,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCNc1ccc2c(c1)CC(C)CC2
InChIInChI=1S/C12H17N/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyWBOZSDSCULLWDE-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.85
Rot. Bonds1

About N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine

N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 143968743) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID143968743
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCNc1ccc2c(c1)CC(C)CC2
InChIInChI=1S/C12H17N/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyWBOZSDSCULLWDE-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 143968743) is N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine is CNc1ccc2c(c1)CC(C)CC2.
What is the InChIKey of N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is WBOZSDSCULLWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine?
N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 175.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 143968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).