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

C18H28N2 — CID 61233061

IUPACN-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CCCc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C18H28N2/c1-2-20(12-6-9-15-7-4-3-5-8-15)18-13-16-10-11-17(14-18)19-16/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeySWGHFAVWXVCJFC-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.22
Rot. Bonds6

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

N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233061) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233061
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CCCc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C18H28N2/c1-2-20(12-6-9-15-7-4-3-5-8-15)18-13-16-10-11-17(14-18)19-16/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeySWGHFAVWXVCJFC-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine 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-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61233061) is N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(CCCc1ccccc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SWGHFAVWXVCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(12-6-9-15-7-4-3-5-8-15)18-13-16-10-11-17(14-18)19-16/h3-5,7-8,16-19H,2,6,9-14H2,1H3.
What are the key properties of N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).