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

C16H30N2 — CID 79614979

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
SMILESCCN(CCC1CC2CCC(C1)N2)C1CCCC1
InChIInChI=1S/C16H30N2/c1-2-18(16-5-3-4-6-16)10-9-13-11-14-7-8-15(12-13)17-14/h13-17H,2-12H2,1H3
InChIKeyBGAVZJIVWGWPRX-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds5

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

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine (PubChem CID 79614979) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
PubChem CID79614979
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
SMILESCCN(CCC1CC2CCC(C1)N2)C1CCCC1
InChIInChI=1S/C16H30N2/c1-2-18(16-5-3-4-6-16)10-9-13-11-14-7-8-15(12-13)17-14/h13-17H,2-12H2,1H3
InChIKeyBGAVZJIVWGWPRX-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine (CID 79614979) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine is CCN(CCC1CC2CCC(C1)N2)C1CCCC1.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine?
The InChIKey is BGAVZJIVWGWPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-18(16-5-3-4-6-16)10-9-13-11-14-7-8-15(12-13)17-14/h13-17H,2-12H2,1H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 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-ethylcyclopentanamine is sourced from PubChem (CID 79614979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).