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

C13H26N4O — CID 107819593

IUPAC5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(CNCC)o1
InChIInChI=1S/C13H26N4O/c1-4-7-8-11(5-2)9-15-13-17-16-12(18-13)10-14-6-3/h11,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyYKCWHQRVLYPOFO-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.81
Rot. Bonds10

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

5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107819593) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
PubChem CID107819593
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(CNCC)o1
InChIInChI=1S/C13H26N4O/c1-4-7-8-11(5-2)9-15-13-17-16-12(18-13)10-14-6-3/h11,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyYKCWHQRVLYPOFO-UHFFFAOYSA-N
XLogP2.81
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 107819590
5-(2-chloroethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819573
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
N-(2-cyclopropylpropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106964701
N,2-diethylhexan-1-amine
CID 14272988
N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967947
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167814
5-(ethylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965526
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine (CID 107819593) is 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine is CCCCC(CC)CNc1nnc(CNCC)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YKCWHQRVLYPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-7-8-11(5-2)9-15-13-17-16-12(18-13)10-14-6-3/h11,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107819593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).