N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C18H30N2S — CID 61333588

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CC2CCC(C1)N2)C(C)c1ccc(CC)s1
InChIInChI=1S/C18H30N2S/c1-4-10-20(13(3)18-9-8-17(5-2)21-18)16-11-14-6-7-15(12-16)19-14/h8-9,13-16,19H,4-7,10-12H2,1-3H3
InChIKeyVLIZROSUVIUGTN-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61333588) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61333588
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C1CC2CCC(C1)N2)C(C)c1ccc(CC)s1
InChIInChI=1S/C18H30N2S/c1-4-10-20(13(3)18-9-8-17(5-2)21-18)16-11-14-6-7-15(12-16)19-14/h8-9,13-16,19H,4-7,10-12H2,1-3H3
InChIKeyVLIZROSUVIUGTN-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-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-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61333588) is N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C1CC2CCC(C1)N2)C(C)c1ccc(CC)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VLIZROSUVIUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-4-10-20(13(3)18-9-8-17(5-2)21-18)16-11-14-6-7-15(12-16)19-14/h8-9,13-16,19H,4-7,10-12H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 306.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61333588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).