N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline

C17H26N2 — CID 79615479

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline
SMILESCCN(CCC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C17H26N2/c1-2-19(17-6-4-3-5-7-17)11-10-14-12-15-8-9-16(13-14)18-15/h3-7,14-16,18H,2,8-13H2,1H3
InChIKeyWEQYFVLGRSMQCG-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline (PubChem CID 79615479) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline
PubChem CID79615479
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline
SMILESCCN(CCC1CC2CCC(C1)N2)c1ccccc1
InChIInChI=1S/C17H26N2/c1-2-19(17-6-4-3-5-7-17)11-10-14-12-15-8-9-16(13-14)18-15/h3-7,14-16,18H,2,8-13H2,1H3
InChIKeyWEQYFVLGRSMQCG-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline (CID 79615479) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline is CCN(CCC1CC2CCC(C1)N2)c1ccccc1.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline?
The InChIKey is WEQYFVLGRSMQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-19(17-6-4-3-5-7-17)11-10-14-12-15-8-9-16(13-14)18-15/h3-7,14-16,18H,2,8-13H2,1H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline has a molecular weight of 258.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylaniline is sourced from PubChem (CID 79615479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).