4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine

C15H19N3O — CID 43559219

IUPAC4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
SMILESCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1
InChIInChI=1S/C15H19N3O/c1-10-17-13(18-19-10)15(16)9-8-14(2,3)11-6-4-5-7-12(11)15/h4-7H,8-9,16H2,1-3H3
InChIKeyMHVVHHMOVORYPP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds1

About 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine

4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine (PubChem CID 43559219) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
PubChem CID43559219
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
SMILESCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1
InChIInChI=1S/C15H19N3O/c1-10-17-13(18-19-10)15(16)9-8-14(2,3)11-6-4-5-7-12(11)15/h4-7H,8-9,16H2,1-3H3
InChIKeyMHVVHHMOVORYPP-UHFFFAOYSA-N
XLogP2.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine (CID 43559219) is 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine is Cc1nc(C2(N)CCC(C)(C)c3ccccc32)no1.
What is the InChIKey of 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
The InChIKey is MHVVHHMOVORYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-17-13(18-19-10)15(16)9-8-14(2,3)11-6-4-5-7-12(11)15/h4-7H,8-9,16H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 43559219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).