N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine

C12H21N3O — CID 107003049

IUPACN-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(C2CC2(C)C)o1
InChIInChI=1S/C12H21N3O/c1-8(2)13-6-5-10-14-15-11(16-10)9-7-12(9,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyGKTNWFJPFOKDMW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds5

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

N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 107003049) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID107003049
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nnc(C2CC2(C)C)o1
InChIInChI=1S/C12H21N3O/c1-8(2)13-6-5-10-14-15-11(16-10)9-7-12(9,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyGKTNWFJPFOKDMW-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107003036
N-[2-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 64905825
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677
N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164844
N-[2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 79205741
N-ethyl-2-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 66478452
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220
N-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62163275
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138939
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 107003049) is N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nnc(C2CC2(C)C)o1.
What is the InChIKey of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is GKTNWFJPFOKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)13-6-5-10-14-15-11(16-10)9-7-12(9,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 107003049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).