N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 106962353

IUPACN-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2CCC(C)C2C)o1
InChIInChI=1S/C11H20N4O/c1-7-4-5-9(8(7)2)13-11-15-14-10(16-11)6-12-3/h7-9,12H,4-6H2,1-3H3,(H,13,15)
InChIKeyJPHCJOGUJDNBME-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.64
Rot. Bonds4

About N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962353) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962353
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC2CCC(C)C2C)o1
InChIInChI=1S/C11H20N4O/c1-7-4-5-9(8(7)2)13-11-15-14-10(16-11)6-12-3/h7-9,12H,4-6H2,1-3H3,(H,13,15)
InChIKeyJPHCJOGUJDNBME-UHFFFAOYSA-N
XLogP1.64
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106962353) is N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC2CCC(C)C2C)o1.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JPHCJOGUJDNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7-4-5-9(8(7)2)13-11-15-14-10(16-11)6-12-3/h7-9,12H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).