N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2S — CID 54983159

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CC2CCC(C1)N2)C(c1cccs1)C1CC1
InChIInChI=1S/C16H24N2S/c1-18(14-9-12-6-7-13(10-14)17-12)16(11-4-5-11)15-3-2-8-19-15/h2-3,8,11-14,16-17H,4-7,9-10H2,1H3
InChIKeySWFGUYDQYJRUQS-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.41
Rot. Bonds4

About N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 54983159) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID54983159
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CC2CCC(C1)N2)C(c1cccs1)C1CC1
InChIInChI=1S/C16H24N2S/c1-18(14-9-12-6-7-13(10-14)17-12)16(11-4-5-11)15-3-2-8-19-15/h2-3,8,11-14,16-17H,4-7,9-10H2,1H3
InChIKeySWFGUYDQYJRUQS-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-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-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 54983159) is N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(C1CC2CCC(C1)N2)C(c1cccs1)C1CC1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SWFGUYDQYJRUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-18(14-9-12-6-7-13(10-14)17-12)16(11-4-5-11)15-3-2-8-19-15/h2-3,8,11-14,16-17H,4-7,9-10H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 54983159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).