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

C13H21N3O — CID 61354121

IUPAC4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(C3CC3C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-8-3-5-13(14,6-4-8)12-15-11(17-16-12)10-7-9(10)2/h8-10H,3-7,14H2,1-2H3
InChIKeyDFECMGROWYVODC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.56
Rot. Bonds2

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

4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61354121) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61354121
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC1CCC(N)(c2noc(C3CC3C)n2)CC1
InChIInChI=1S/C13H21N3O/c1-8-3-5-13(14,6-4-8)12-15-11(17-16-12)10-7-9(10)2/h8-10H,3-7,14H2,1-2H3
InChIKeyDFECMGROWYVODC-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61354121) is 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CC1CCC(N)(c2noc(C3CC3C)n2)CC1.
What is the InChIKey of 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is DFECMGROWYVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-3-5-13(14,6-4-8)12-15-11(17-16-12)10-7-9(10)2/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61354121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).