2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine

C11H19N3O — CID 104892127

IUPAC2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C)no1
InChIInChI=1S/C11H19N3O/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)15-14-11/h8,10,12H,3-7H2,1-2H3
InChIKeyJHARUNKKMCWZBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 104892127) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID104892127
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C)no1
InChIInChI=1S/C11H19N3O/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)15-14-11/h8,10,12H,3-7H2,1-2H3
InChIKeyJHARUNKKMCWZBK-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107911511
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]cyclobutan-1-ol
CID 107911715
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentan-1-amine
CID 65045485
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106413713
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]piperidin-2-one
CID 107911556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine (CID 104892127) is 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine is Cc1nc(CNC2CCCCC2C)no1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is JHARUNKKMCWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)15-14-11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine?
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 104892127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).