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

C12H21N3O — CID 106828822

IUPACN-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C2(C)CCCCC2)o1
InChIInChI=1S/C12H21N3O/c1-3-13-9-10-14-15-11(16-10)12(2)7-5-4-6-8-12/h13H,3-9H2,1-2H3
InChIKeyATWWWJVNWOEXIJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.40
Rot. Bonds4

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

N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 106828822) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID106828822
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C2(C)CCCCC2)o1
InChIInChI=1S/C12H21N3O/c1-3-13-9-10-14-15-11(16-10)12(2)7-5-4-6-8-12/h13H,3-9H2,1-2H3
InChIKeyATWWWJVNWOEXIJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 106828822) is N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(C2(C)CCCCC2)o1.
What is the InChIKey of N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is ATWWWJVNWOEXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-9-10-14-15-11(16-10)12(2)7-5-4-6-8-12/h13H,3-9H2,1-2H3.
What are the key properties of N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106828822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).