5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine

C10H20N4O — CID 106971387

IUPAC5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCN(C)c1nnc(C(C)N)o1
InChIInChI=1S/C10H20N4O/c1-7(2)5-6-14(4)10-13-12-9(15-10)8(3)11/h7-8H,5-6,11H2,1-4H3
InChIKeyLAKKYOSWJKGBRV-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.57
Rot. Bonds5

About 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106971387) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106971387
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCN(C)c1nnc(C(C)N)o1
InChIInChI=1S/C10H20N4O/c1-7(2)5-6-14(4)10-13-12-9(15-10)8(3)11/h7-8H,5-6,11H2,1-4H3
InChIKeyLAKKYOSWJKGBRV-UHFFFAOYSA-N
XLogP1.57
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 106959440
4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
CID 106965470
5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964244
N-butyl-5-(1-chloroethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106958895
5-(1-chloroethyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106958009
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine
CID 143265332
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(1-aminoethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960866
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 106971387) is 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine is CC(C)CCN(C)c1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LAKKYOSWJKGBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(2)5-6-14(4)10-13-12-9(15-10)8(3)11/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).