N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C16H26N2S — CID 54898751

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C16H26N2S/c1-11-4-7-16(19-11)12(2)17-10-13-8-14-5-6-15(9-13)18(14)3/h4,7,12-15,17H,5-6,8-10H2,1-3H3
InChIKeyGUIYILRKHOROQH-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.58
Rot. Bonds4

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 54898751) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID54898751
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C16H26N2S/c1-11-4-7-16(19-11)12(2)17-10-13-8-14-5-6-15(9-13)18(14)3/h4,7,12-15,17H,5-6,8-10H2,1-3H3
InChIKeyGUIYILRKHOROQH-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine 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-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 54898751) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCC2CC3CCC(C2)N3C)s1.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is GUIYILRKHOROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11-4-7-16(19-11)12(2)17-10-13-8-14-5-6-15(9-13)18(14)3/h4,7,12-15,17H,5-6,8-10H2,1-3H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 278.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 54898751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).