N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H26N2S — CID 62738480

IUPACN-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCC(c1cccs1)N1C2CCC1CC(NC)C2
InChIInChI=1S/C16H26N2S/c1-3-5-15(16-6-4-9-19-16)18-13-7-8-14(18)11-12(10-13)17-2/h4,6,9,12-15,17H,3,5,7-8,10-11H2,1-2H3
InChIKeyREXCENYHRXKZGW-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.80
Rot. Bonds5

About N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738480) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738480
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCC(c1cccs1)N1C2CCC1CC(NC)C2
InChIInChI=1S/C16H26N2S/c1-3-5-15(16-6-4-9-19-16)18-13-7-8-14(18)11-12(10-13)17-2/h4,6,9,12-15,17H,3,5,7-8,10-11H2,1-2H3
InChIKeyREXCENYHRXKZGW-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62738480) is N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCC(c1cccs1)N1C2CCC1CC(NC)C2.
What is the InChIKey of N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is REXCENYHRXKZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-5-15(16-6-4-9-19-16)18-13-7-8-14(18)11-12(10-13)17-2/h4,6,9,12-15,17H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).