(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H21N3O — CID 129379528

IUPAC(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(Cc1noc(C2CC2)n1)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C17H21N3O/c1-20(11-16-18-17(21-19-16)13-6-7-13)15-9-8-12-4-2-3-5-14(12)10-15/h2-5,13,15H,6-11H2,1H3/t15-/m1/s1
InChIKeyFHLLGVDUGYXWRX-OAHLLOKOSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds4

About (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 129379528) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID129379528
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(Cc1noc(C2CC2)n1)[C@@H]1CCc2ccccc2C1
InChIInChI=1S/C17H21N3O/c1-20(11-16-18-17(21-19-16)13-6-7-13)15-9-8-12-4-2-3-5-14(12)10-15/h2-5,13,15H,6-11H2,1H3/t15-/m1/s1
InChIKeyFHLLGVDUGYXWRX-OAHLLOKOSA-N
XLogP2.94
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
N-[[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 107127585
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 97061477
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134795524
(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
CID 98847852
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107127579
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 129379528) is (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(Cc1noc(C2CC2)n1)[C@@H]1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FHLLGVDUGYXWRX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(11-16-18-17(21-19-16)13-6-7-13)15-9-8-12-4-2-3-5-14(12)10-15/h2-5,13,15H,6-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 283.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 129379528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).