N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine

C14H25N3O — CID 103166380

IUPACN-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1nnc(CC2CCC2)o1
InChIInChI=1S/C14H25N3O/c1-14(2,3)15-9-5-8-12-16-17-13(18-12)10-11-6-4-7-11/h11,15H,4-10H2,1-3H3
InChIKeyKTKJHCGTDSESFG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 103166380) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID103166380
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1nnc(CC2CCC2)o1
InChIInChI=1S/C14H25N3O/c1-14(2,3)15-9-5-8-12-16-17-13(18-12)10-11-6-4-7-11/h11,15H,4-10H2,1-3H3
InChIKeyKTKJHCGTDSESFG-UHFFFAOYSA-N
XLogP2.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
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-[3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 62164255
2-methyl-N-[2-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 83135957
2-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 103166389
3-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138939
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 114459250
N-methyl-3-[5-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 83136979
N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65184883
N-[2-[5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164844
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103166366
2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
CID 103162193
N-[3-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 103212000

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine (CID 103166380) is N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1nnc(CC2CCC2)o1.
What is the InChIKey of N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is KTKJHCGTDSESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)15-9-5-8-12-16-17-13(18-12)10-11-6-4-7-11/h11,15H,4-10H2,1-3H3.
What are the key properties of N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103166380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).