N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine

C11H19N3O — CID 86812713

IUPACN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
SMILESCCN(Cc1noc(C(C)C)n1)C1CC1
InChIInChI=1S/C11H19N3O/c1-4-14(9-5-6-9)7-10-12-11(8(2)3)15-13-10/h8-9H,4-7H2,1-3H3
InChIKeyYFNAEANBQIXJRK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine

N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine (PubChem CID 86812713) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
PubChem CID86812713
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
SMILESCCN(Cc1noc(C(C)C)n1)C1CC1
InChIInChI=1S/C11H19N3O/c1-4-14(9-5-6-9)7-10-12-11(8(2)3)15-13-10/h8-9H,4-7H2,1-3H3
InChIKeyYFNAEANBQIXJRK-UHFFFAOYSA-N
XLogP2.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine (CID 86812713) is N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine is CCN(Cc1noc(C(C)C)n1)C1CC1.
What is the InChIKey of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
The InChIKey is YFNAEANBQIXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14(9-5-6-9)7-10-12-11(8(2)3)15-13-10/h8-9H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine?
N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine has a molecular weight of 209.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 86812713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).