[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine

C12H19N3O — CID 115450845

IUPAC[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
SMILESNCC1(c2nc(C3CCCCC3)no2)CC1
InChIInChI=1S/C12H19N3O/c13-8-12(6-7-12)11-14-10(15-16-11)9-4-2-1-3-5-9/h9H,1-8,13H2
InChIKeyNYRGNUIXIBZADX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.11
Rot. Bonds3

About [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine

[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine (PubChem CID 115450845) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
PubChem CID115450845
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
SMILESNCC1(c2nc(C3CCCCC3)no2)CC1
InChIInChI=1S/C12H19N3O/c13-8-12(6-7-12)11-14-10(15-16-11)9-4-2-1-3-5-9/h9H,1-8,13H2
InChIKeyNYRGNUIXIBZADX-UHFFFAOYSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine with MolForge

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Related Compounds

[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 113312330
[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311272
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 65390894
3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
CID 71980379

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine (CID 115450845) is [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine is NCC1(c2nc(C3CCCCC3)no2)CC1.
What is the InChIKey of [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
The InChIKey is NYRGNUIXIBZADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-12(6-7-12)11-14-10(15-16-11)9-4-2-1-3-5-9/h9H,1-8,13H2.
What are the key properties of [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine?
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115450845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).