N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C12H21N3O — CID 62588537

IUPACN-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nnc(C2CCCCCC2)o1
InChIInChI=1S/C12H21N3O/c1-2-13-9-11-14-15-12(16-11)10-7-5-3-4-6-8-10/h10,13H,2-9H2,1H3
InChIKeyQEUHPKUTVRYDFA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.62
Rot. Bonds4

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

N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 62588537) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID62588537
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nnc(C2CCCCCC2)o1
InChIInChI=1S/C12H21N3O/c1-2-13-9-11-14-15-12(16-11)10-7-5-3-4-6-8-10/h10,13H,2-9H2,1H3
InChIKeyQEUHPKUTVRYDFA-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 62588537) is N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CCNCc1nnc(C2CCCCCC2)o1.
What is the InChIKey of N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is QEUHPKUTVRYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-13-9-11-14-15-12(16-11)10-7-5-3-4-6-8-10/h10,13H,2-9H2,1H3.
What are the key properties of N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62588537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).