3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

C12H21N3O — CID 43559629

IUPAC3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(C(C)C)n2)C1
InChIInChI=1S/C12H21N3O/c1-8(2)10-14-11(15-16-10)12(13)6-4-5-9(3)7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyYAPPFIJFPUSWGC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.56
Rot. Bonds2

About 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine

3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (PubChem CID 43559629) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
PubChem CID43559629
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(C(C)C)n2)C1
InChIInChI=1S/C12H21N3O/c1-8(2)10-14-11(15-16-10)12(13)6-4-5-9(3)7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyYAPPFIJFPUSWGC-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
5-methyl-2-propan-2-yl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 43559620
3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 55048048
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
1-cyclopropyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 113491740
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 62960296
1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 104639528
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352732
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
4-[3-(1-amino-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 61352527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine (CID 43559629) is 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is CC1CCCC(N)(c2noc(C(C)C)n2)C1.
What is the InChIKey of 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
The InChIKey is YAPPFIJFPUSWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)10-14-11(15-16-10)12(13)6-4-5-9(3)7-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine?
3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine has a molecular weight of 223.32 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 3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 43559629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).