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

C10H17N3O — CID 90326100

IUPACN-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
SMILESCC(C)c1noc(C(C)NC2CC2)n1
InChIInChI=1S/C10H17N3O/c1-6(2)9-12-10(14-13-9)7(3)11-8-4-5-8/h6-8,11H,4-5H2,1-3H3
InChIKeyKPLMKIFJVDUATK-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.01
Rot. Bonds4

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

N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine (PubChem CID 90326100) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
PubChem CID90326100
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
SMILESCC(C)c1noc(C(C)NC2CC2)n1
InChIInChI=1S/C10H17N3O/c1-6(2)9-12-10(14-13-9)7(3)11-8-4-5-8/h6-8,11H,4-5H2,1-3H3
InChIKeyKPLMKIFJVDUATK-UHFFFAOYSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine (CID 90326100) is N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine is CC(C)c1noc(C(C)NC2CC2)n1.
What is the InChIKey of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine?
The InChIKey is KPLMKIFJVDUATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)9-12-10(14-13-9)7(3)11-8-4-5-8/h6-8,11H,4-5H2,1-3H3.
What are the key properties of N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine?
N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine has a molecular weight of 195.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 90326100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).