1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C11H19N3O — CID 43655518

IUPAC1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCC(C)Cc1noc(CNCC2CC2)n1
InChIInChI=1S/C11H19N3O/c1-8(2)5-10-13-11(15-14-10)7-12-6-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyLXHRWYMZZJDKGW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds6

About 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 43655518) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID43655518
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCC(C)Cc1noc(CNCC2CC2)n1
InChIInChI=1S/C11H19N3O/c1-8(2)5-10-13-11(15-14-10)7-12-6-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyLXHRWYMZZJDKGW-UHFFFAOYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 43655518) is 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CC(C)Cc1noc(CNCC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is LXHRWYMZZJDKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)5-10-13-11(15-14-10)7-12-6-9-3-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 43655518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).