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

C10H20N4O — CID 106959523

IUPAC5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(CC(C)(C)C)c1nnc(CCN)o1
InChIInChI=1S/C10H20N4O/c1-10(2,3)7-14(4)9-13-12-8(15-9)5-6-11/h5-7,11H2,1-4H3
InChIKeyQLHPOLCTEVOIDQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.05
Rot. Bonds4

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

5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106959523) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106959523
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(CC(C)(C)C)c1nnc(CCN)o1
InChIInChI=1S/C10H20N4O/c1-10(2,3)7-14(4)9-13-12-8(15-9)5-6-11/h5-7,11H2,1-4H3
InChIKeyQLHPOLCTEVOIDQ-UHFFFAOYSA-N
XLogP1.05
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 106959523) is 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine is CN(CC(C)(C)C)c1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QLHPOLCTEVOIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,3)7-14(4)9-13-12-8(15-9)5-6-11/h5-7,11H2,1-4H3.
What are the key properties of 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 212.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).