N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C15H26N4O — CID 106394773

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1ncno1
InChIInChI=1S/C15H26N4O/c1-11(2)19-8-12-4-3-5-13(9-19)15(12)16-7-6-14-17-10-18-20-14/h10-13,15-16H,3-9H2,1-2H3
InChIKeyRUWRZWFHKANZOA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 106394773) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID106394773
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1ncno1
InChIInChI=1S/C15H26N4O/c1-11(2)19-8-12-4-3-5-13(9-19)15(12)16-7-6-14-17-10-18-20-14/h10-13,15-16H,3-9H2,1-2H3
InChIKeyRUWRZWFHKANZOA-UHFFFAOYSA-N
XLogP1.71
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 106394773) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is RUWRZWFHKANZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-8-12-4-3-5-13(9-19)15(12)16-7-6-14-17-10-18-20-14/h10-13,15-16H,3-9H2,1-2H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 278.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 106394773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).