5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine

C12H24N4O — CID 106963651

IUPAC5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCCCCC(C)C)o1
InChIInChI=1S/C12H24N4O/c1-4-13-9-11-15-16-12(17-11)14-8-6-5-7-10(2)3/h10,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyDTPXXIGAOGRZAU-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.42
Rot. Bonds9

About 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963651) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963651
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCCCCC(C)C)o1
InChIInChI=1S/C12H24N4O/c1-4-13-9-11-15-16-12(17-11)14-8-6-5-7-10(2)3/h10,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyDTPXXIGAOGRZAU-UHFFFAOYSA-N
XLogP2.42
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106958282
N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967947
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819593
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964891
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine (CID 106963651) is 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NCCCCC(C)C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DTPXXIGAOGRZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-13-9-11-15-16-12(17-11)14-8-6-5-7-10(2)3/h10,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.35 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).