N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine

C18H26N2 — CID 115328464

IUPACN-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C(CN(CC)C1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C18H26N2/c1-3-20(13-14(2)15-7-5-4-6-8-15)18-11-16-9-10-17(12-18)19-16/h4-8,16-19H,2-3,9-13H2,1H3
InChIKeyLVMZZWALVWUXNU-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 115328464) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID115328464
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C(CN(CC)C1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C18H26N2/c1-3-20(13-14(2)15-7-5-4-6-8-15)18-11-16-9-10-17(12-18)19-16/h4-8,16-19H,2-3,9-13H2,1H3
InChIKeyLVMZZWALVWUXNU-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 115328464) is N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine is C=C(CN(CC)C1CC2CCC(C1)N2)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LVMZZWALVWUXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-20(13-14(2)15-7-5-4-6-8-15)18-11-16-9-10-17(12-18)19-16/h4-8,16-19H,2-3,9-13H2,1H3.
What are the key properties of N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 270.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 115328464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).