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

C17H23N3O — CID 43559479

IUPAC4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
SMILESCCCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1
InChIInChI=1S/C17H23N3O/c1-4-7-14-19-15(20-21-14)17(18)11-10-16(2,3)12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10-11,18H2,1-3H3
InChIKeyAMFKMJJROAEEKG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds3

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

4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine (PubChem CID 43559479) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
PubChem CID43559479
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
SMILESCCCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1
InChIInChI=1S/C17H23N3O/c1-4-7-14-19-15(20-21-14)17(18)11-10-16(2,3)12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10-11,18H2,1-3H3
InChIKeyAMFKMJJROAEEKG-UHFFFAOYSA-N
XLogP3.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
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-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine (CID 43559479) is 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine is CCCc1nc(C2(N)CCC(C)(C)c3ccccc32)no1.
What is the InChIKey of 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
The InChIKey is AMFKMJJROAEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-7-14-19-15(20-21-14)17(18)11-10-16(2,3)12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10-11,18H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine?
4,4-dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.30, 3 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-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 43559479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).