N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C13H21N3O — CID 107182943

IUPACN-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCC1c1nc(CNC2CC2)no1
InChIInChI=1S/C13H21N3O/c1-13(2)7-3-4-10(13)12-15-11(16-17-12)8-14-9-5-6-9/h9-10,14H,3-8H2,1-2H3
InChIKeyNCXFVPKEOMDCHE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds4

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

N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 107182943) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID107182943
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCC1(C)CCCC1c1nc(CNC2CC2)no1
InChIInChI=1S/C13H21N3O/c1-13(2)7-3-4-10(13)12-15-11(16-17-12)8-14-9-5-6-9/h9-10,14H,3-8H2,1-2H3
InChIKeyNCXFVPKEOMDCHE-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 107182962
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 65159781
(1S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 99833236
N-[[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 113422427
5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107182887
2-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107182911
N-[[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 107186259
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62342567
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220
1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 107179971
3-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methylamino]-4,4-dimethylpyrrolidin-2-one
CID 146139422
1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 107182906

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 107182943) is N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is CC1(C)CCCC1c1nc(CNC2CC2)no1.
What is the InChIKey of N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is NCXFVPKEOMDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)7-3-4-10(13)12-15-11(16-17-12)8-14-9-5-6-9/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107182943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).