N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine

C11H21N3O — CID 123611608

IUPACN,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
SMILESCNC(C)C(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C11H21N3O/c1-7(2)11-13-10(14-15-11)6-8(3)9(4)12-5/h7-9,12H,6H2,1-5H3
InChIKeyXFEJZUXCZQDWAM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.98
Rot. Bonds5

About N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine

N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine (PubChem CID 123611608) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
PubChem CID123611608
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
SMILESCNC(C)C(C)Cc1noc(C(C)C)n1
InChIInChI=1S/C11H21N3O/c1-7(2)11-13-10(14-15-11)6-8(3)9(4)12-5/h7-9,12H,6H2,1-5H3
InChIKeyXFEJZUXCZQDWAM-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine (CID 123611608) is N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine is CNC(C)C(C)Cc1noc(C(C)C)n1.
What is the InChIKey of N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
The InChIKey is XFEJZUXCZQDWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)11-13-10(14-15-11)6-8(3)9(4)12-5/h7-9,12H,6H2,1-5H3.
What are the key properties of N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine?
N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-2-amine is sourced from PubChem (CID 123611608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).