2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine

C13H23N3O2 — CID 107911862

IUPAC2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2noc(C)n2)CCO1
InChIInChI=1S/C13H23N3O2/c1-4-13(5-2)8-11(6-7-17-13)14-9-12-15-10(3)18-16-12/h11,14H,4-9H2,1-3H3
InChIKeyBMNXZVAQPJVXNB-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.21
Rot. Bonds5

About 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine

2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine (PubChem CID 107911862) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine
PubChem CID107911862
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2noc(C)n2)CCO1
InChIInChI=1S/C13H23N3O2/c1-4-13(5-2)8-11(6-7-17-13)14-9-12-15-10(3)18-16-12/h11,14H,4-9H2,1-3H3
InChIKeyBMNXZVAQPJVXNB-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659872
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
CID 107911715
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine (CID 107911862) is 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine is CCC1(CC)CC(NCc2noc(C)n2)CCO1.
What is the InChIKey of 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine?
The InChIKey is BMNXZVAQPJVXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-13(5-2)8-11(6-7-17-13)14-9-12-15-10(3)18-16-12/h11,14H,4-9H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine?
2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 107911862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).