1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C12H21N3O — CID 104880772

IUPAC1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-4-5-6-9(13)11-14-10(15-16-11)8-7-12(8,2)3/h8-9H,4-7,13H2,1-3H3
InChIKeyHVZQSTWBFUAAPY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 104880772) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID104880772
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-4-5-6-9(13)11-14-10(15-16-11)8-7-12(8,2)3/h8-9H,4-7,13H2,1-3H3
InChIKeyHVZQSTWBFUAAPY-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880761
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145004
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144988
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107925138
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 107925222
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
(1S)-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145038
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145003

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 104880772) is 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(C2CC2(C)C)no1.
What is the InChIKey of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is HVZQSTWBFUAAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-6-9(13)11-14-10(15-16-11)8-7-12(8,2)3/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 104880772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).