N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine

C12H21N3O — CID 62162767

IUPACN-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
SMILESCCC(CC)c1nnc(CCNC2CC2)o1
InChIInChI=1S/C12H21N3O/c1-3-9(4-2)12-15-14-11(16-12)7-8-13-10-5-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyWYNODBMQXNCYMS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine

N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine (PubChem CID 62162767) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
PubChem CID62162767
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
SMILESCCC(CC)c1nnc(CCNC2CC2)o1
InChIInChI=1S/C12H21N3O/c1-3-9(4-2)12-15-14-11(16-12)7-8-13-10-5-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyWYNODBMQXNCYMS-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042
N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 112603888
2-(3-chloropropyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 43513337
N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 104632969
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
N-[2-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 55043742
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 63834383
2-(2-chloroethyl)-5-heptan-3-yl-1,3,4-oxadiazole
CID 43513193
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine (CID 62162767) is N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine is CCC(CC)c1nnc(CCNC2CC2)o1.
What is the InChIKey of N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is WYNODBMQXNCYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9(4-2)12-15-14-11(16-12)7-8-13-10-5-6-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine?
N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 62162767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).