N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 61232068

IUPACN-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(c1ccccc1)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C18H28N2/c1-3-18(14-8-6-5-7-9-14)20(4-2)17-12-15-10-11-16(13-17)19-15/h5-9,15-19H,3-4,10-13H2,1-2H3
InChIKeyCVWFJSRHQPTUAL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.74
Rot. Bonds5

About N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232068) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232068
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(c1ccccc1)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C18H28N2/c1-3-18(14-8-6-5-7-9-14)20(4-2)17-12-15-10-11-16(13-17)19-15/h5-9,15-19H,3-4,10-13H2,1-2H3
InChIKeyCVWFJSRHQPTUAL-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61232068) is N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CCC(c1ccccc1)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CVWFJSRHQPTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-18(14-8-6-5-7-9-14)20(4-2)17-12-15-10-11-16(13-17)19-15/h5-9,15-19H,3-4,10-13H2,1-2H3.
What are the key properties of N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).