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

C13H23N3O — CID 66478393

IUPACN-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H23N3O/c1-8(2)14-7-9-15-11(17-16-9)10-12(3,4)13(10,5)6/h8,10,14H,7H2,1-6H3
InChIKeySHKLFMSWONNDCN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.72
Rot. Bonds4

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

N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 66478393) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID66478393
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C13H23N3O/c1-8(2)14-7-9-15-11(17-16-9)10-12(3,4)13(10,5)6/h8,10,14H,7H2,1-6H3
InChIKeySHKLFMSWONNDCN-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
CID 130536071
3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66478395
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
N-[[5-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 81451470
N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 112603783
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 107924618
N-[[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 114022908
N-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 55065816
2-propan-2-yloxy-1-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634539
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145548
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 66478393) is N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CC(C)NCc1noc(C2C(C)(C)C2(C)C)n1.
What is the InChIKey of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is SHKLFMSWONNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)14-7-9-15-11(17-16-9)10-12(3,4)13(10,5)6/h8,10,14H,7H2,1-6H3.
What are the key properties of N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66478393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).