5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine

C15H20N4O — CID 106960342

IUPAC5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2CCCc3ccccc32)o1
InChIInChI=1S/C15H20N4O/c1-2-16-10-14-18-19-15(20-14)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,16H,2,5,7,9-10H2,1H3,(H,17,19)
InChIKeyREPVAIFXLFJNON-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.67
Rot. Bonds5

About 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960342) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106960342
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2CCCc3ccccc32)o1
InChIInChI=1S/C15H20N4O/c1-2-16-10-14-18-19-15(20-14)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,16H,2,5,7,9-10H2,1H3,(H,17,19)
InChIKeyREPVAIFXLFJNON-UHFFFAOYSA-N
XLogP2.67
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107856398
N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960743
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide
CID 59415536
5-[(tert-butylamino)methyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-oxadiazol-2-amine
CID 106960597
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962075
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-2,5-diamine
CID 79881384
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 43400828
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine (CID 106960342) is 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NC2CCCc3ccccc32)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is REPVAIFXLFJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-16-10-14-18-19-15(20-14)17-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,16H,2,5,7,9-10H2,1H3,(H,17,19).
What are the key properties of 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).