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

C13H21N3O — CID 71937266

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1nnc(C2CC2)o1)C1CCCC1
InChIInChI=1S/C13H21N3O/c1-2-16(11-5-3-4-6-11)9-12-14-15-13(17-12)10-7-8-10/h10-11H,2-9H2,1H3
InChIKeyTWHVRGOSKGBZCM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.71
Rot. Bonds5

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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine (PubChem CID 71937266) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
PubChem CID71937266
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1nnc(C2CC2)o1)C1CCCC1
InChIInChI=1S/C13H21N3O/c1-2-16(11-5-3-4-6-11)9-12-14-15-13(17-12)10-7-8-10/h10-11H,2-9H2,1H3
InChIKeyTWHVRGOSKGBZCM-UHFFFAOYSA-N
XLogP2.71
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine (CID 71937266) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine is CCN(Cc1nnc(C2CC2)o1)C1CCCC1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine?
The InChIKey is TWHVRGOSKGBZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16(11-5-3-4-6-11)9-12-14-15-13(17-12)10-7-8-10/h10-11H,2-9H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine has a molecular weight of 235.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine is sourced from PubChem (CID 71937266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).