N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C17H28N4O — CID 137345481

IUPACN-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(CNC)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N4O/c1-3-14(19-16-21-20-15(22-16)10-18-2)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyAZTCRAUNRDWLCN-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137345481) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137345481
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(CNC)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N4O/c1-3-14(19-16-21-20-15(22-16)10-18-2)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14,18H,3-10H2,1-2H3,(H,19,21)
InChIKeyAZTCRAUNRDWLCN-UHFFFAOYSA-N
XLogP3.20
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 137345481) is N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CCC(Nc1nnc(CNC)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AZTCRAUNRDWLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-14(19-16-21-20-15(22-16)10-18-2)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14,18H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 304.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137345481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).