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

C11H19N3O2 — CID 116701649

IUPAC1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCC(OC)c1noc(CNCC2CC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-9(15-2)11-13-10(16-14-11)7-12-6-8-4-5-8/h8-9,12H,3-7H2,1-2H3
InChIKeyAMJHYPJVCPCVCO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.67
Rot. Bonds7

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

1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 116701649) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID116701649
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCC(OC)c1noc(CNCC2CC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-9(15-2)11-13-10(16-14-11)7-12-6-8-4-5-8/h8-9,12H,3-7H2,1-2H3
InChIKeyAMJHYPJVCPCVCO-UHFFFAOYSA-N
XLogP1.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116701643
4-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 116701803
3-(1-methoxypropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 116701753
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
N-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116702156
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116701700
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 116704758

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 116701649) is 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CCC(OC)c1noc(CNCC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is AMJHYPJVCPCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9(15-2)11-13-10(16-14-11)7-12-6-8-4-5-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 116701649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).