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

C11H21N3O2 — CID 103022416

IUPACN-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(CC(C)(C)OC)o1
InChIInChI=1S/C11H21N3O2/c1-5-6-12-8-10-14-13-9(16-10)7-11(2,3)15-4/h12H,5-8H2,1-4H3
InChIKeySFEHHSMVROJGBP-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.54
Rot. Bonds7

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

N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 103022416) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID103022416
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(CC(C)(C)OC)o1
InChIInChI=1S/C11H21N3O2/c1-5-6-12-8-10-14-13-9(16-10)7-11(2,3)15-4/h12H,5-8H2,1-4H3
InChIKeySFEHHSMVROJGBP-UHFFFAOYSA-N
XLogP1.54
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 103022424
N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112603853
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582
N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103211969
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 104632921
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
N-[[5-(2,4-dimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 114282336
3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103022428

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 103022416) is N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(CC(C)(C)OC)o1.
What is the InChIKey of N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is SFEHHSMVROJGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-6-12-8-10-14-13-9(16-10)7-11(2,3)15-4/h12H,5-8H2,1-4H3.
What are the key properties of N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103022416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).