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

C16H26N4O — CID 106962943

IUPACN-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC23CC4CC(C)(CC(C)(C4)C2)C3)o1
InChIInChI=1S/C16H26N4O/c1-14-4-11-5-15(2,8-14)10-16(6-11,9-14)18-13-20-19-12(21-13)7-17-3/h11,17H,4-10H2,1-3H3,(H,18,20)
InChIKeyIBFSAOMLNYJVSQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds4

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

N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962943) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106962943
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC23CC4CC(C)(CC(C)(C4)C2)C3)o1
InChIInChI=1S/C16H26N4O/c1-14-4-11-5-15(2,8-14)10-16(6-11,9-14)18-13-20-19-12(21-13)7-17-3/h11,17H,4-10H2,1-3H3,(H,18,20)
InChIKeyIBFSAOMLNYJVSQ-UHFFFAOYSA-N
XLogP2.95
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106962943) is N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC23CC4CC(C)(CC(C)(C4)C2)C3)o1.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IBFSAOMLNYJVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14-4-11-5-15(2,8-14)10-16(6-11,9-14)18-13-20-19-12(21-13)7-17-3/h11,17H,4-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-adamantyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).