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

C10H19N3O — CID 60724943

IUPACN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CC(C)C)no1
InChIInChI=1S/C10H19N3O/c1-4-5-11-7-10-12-9(13-14-10)6-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyOBVCTBLIAQACPK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds6

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

N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 60724943) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID60724943
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CC(C)C)no1
InChIInChI=1S/C10H19N3O/c1-4-5-11-7-10-12-9(13-14-10)6-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyOBVCTBLIAQACPK-UHFFFAOYSA-N
XLogP1.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
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

4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348218
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
(2R,3S)-3-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-2-amine
CID 97335039
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-ethyl-4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348217
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 103472622
N-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65140557
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
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
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 60724943) is N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is CCCNCc1nc(CC(C)C)no1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is OBVCTBLIAQACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-11-7-10-12-9(13-14-10)6-8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 60724943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).