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

C9H17N3O — CID 60720301

IUPACN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1nc(C(C)C)no1
InChIInChI=1S/C9H17N3O/c1-4-5-10-6-8-11-9(7(2)3)12-13-8/h7,10H,4-6H2,1-3H3
InChIKeyVNPACHDQVYJGIJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.69
Rot. Bonds5

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

N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (PubChem CID 60720301) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
PubChem CID60720301
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1nc(C(C)C)no1
InChIInChI=1S/C9H17N3O/c1-4-5-10-6-8-11-9(7(2)3)12-13-8/h7,10H,4-6H2,1-3H3
InChIKeyVNPACHDQVYJGIJ-UHFFFAOYSA-N
XLogP1.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
CID 62338045
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404925
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
3,3-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347721
N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine
CID 116806185
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65422880
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848184
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
CID 24648763

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine (CID 60720301) is N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is CCCNCc1nc(C(C)C)no1.
What is the InChIKey of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is VNPACHDQVYJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-10-6-8-11-9(7(2)3)12-13-8/h7,10H,4-6H2,1-3H3.
What are the key properties of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine?
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 60720301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).