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

C9H18N4O — CID 106968810

IUPAC5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)CN(C)c1nnc(CN)o1
InChIInChI=1S/C9H18N4O/c1-4-7(2)6-13(3)9-12-11-8(5-10)14-9/h7H,4-6,10H2,1-3H3
InChIKeyQCNBGPIZWSOBKY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.01
Rot. Bonds5

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

5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968810) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968810
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)CN(C)c1nnc(CN)o1
InChIInChI=1S/C9H18N4O/c1-4-7(2)6-13(3)9-12-11-8(5-10)14-9/h7H,4-6,10H2,1-3H3
InChIKeyQCNBGPIZWSOBKY-UHFFFAOYSA-N
XLogP1.01
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 106968810) is 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine is CCC(C)CN(C)c1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is QCNBGPIZWSOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-7(2)6-13(3)9-12-11-8(5-10)14-9/h7H,4-6,10H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).