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

C14H25N3O2 — CID 116740888

IUPAC1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCOC(CC)(CC)c1noc(CNCC2CC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,18-6-3)13-16-12(19-17-13)10-15-9-11-7-8-11/h11,15H,4-10H2,1-3H3
InChIKeyUVWOOOHQHSTHIT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.62
Rot. Bonds9

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

1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 116740888) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID116740888
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCOC(CC)(CC)c1noc(CNCC2CC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-14(5-2,18-6-3)13-16-12(19-17-13)10-15-9-11-7-8-11/h11,15H,4-10H2,1-3H3
InChIKeyUVWOOOHQHSTHIT-UHFFFAOYSA-N
XLogP2.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 116740888) is 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CCOC(CC)(CC)c1noc(CNCC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is UVWOOOHQHSTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14(5-2,18-6-3)13-16-12(19-17-13)10-15-9-11-7-8-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 116740888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).