8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C19H27N3O — CID 10267605

IUPAC8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(-c3nc(C)no3)c2C1
InChIInChI=1S/C19H27N3O/c1-4-11-22(12-5-2)16-10-9-15-7-6-8-17(18(15)13-16)19-20-14(3)21-23-19/h6-8,16H,4-5,9-13H2,1-3H3
InChIKeyUESYDGALMZWDRF-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.02
Rot. Bonds6

About 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10267605) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10267605
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(-c3nc(C)no3)c2C1
InChIInChI=1S/C19H27N3O/c1-4-11-22(12-5-2)16-10-9-15-7-6-8-17(18(15)13-16)19-20-14(3)21-23-19/h6-8,16H,4-5,9-13H2,1-3H3
InChIKeyUESYDGALMZWDRF-UHFFFAOYSA-N
XLogP4.02
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10267605) is 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2cccc(-c3nc(C)no3)c2C1.
What is the InChIKey of 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UESYDGALMZWDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-11-22(12-5-2)16-10-9-15-7-6-8-17(18(15)13-16)19-20-14(3)21-23-19/h6-8,16H,4-5,9-13H2,1-3H3.
What are the key properties of 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 313.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10267605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).