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

C13H23N3O — CID 51076138

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
SMILESCC(C)Cc1noc(CN(C)C2CCCC2)n1
InChIInChI=1S/C13H23N3O/c1-10(2)8-12-14-13(17-15-12)9-16(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyLJIGJWBNZPYQBV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.64
Rot. Bonds5

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

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine (PubChem CID 51076138) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
PubChem CID51076138
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
SMILESCC(C)Cc1noc(CN(C)C2CCCC2)n1
InChIInChI=1S/C13H23N3O/c1-10(2)8-12-14-13(17-15-12)9-16(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyLJIGJWBNZPYQBV-UHFFFAOYSA-N
XLogP2.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine (CID 51076138) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine is CC(C)Cc1noc(CN(C)C2CCCC2)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
The InChIKey is LJIGJWBNZPYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)8-12-14-13(17-15-12)9-16(3)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine has a molecular weight of 237.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 51076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).