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

C15H24N2S — CID 107093556

IUPACN-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1ccc(CNC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C15H24N2S/c1-3-14-6-7-15(18-14)10-16-11-8-12-4-5-13(9-11)17(12)2/h6-7,11-13,16H,3-5,8-10H2,1-2H3
InChIKeyYJEJPCLIECXFSC-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.03
Rot. Bonds4

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

N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107093556) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107093556
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1ccc(CNC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C15H24N2S/c1-3-14-6-7-15(18-14)10-16-11-8-12-4-5-13(9-11)17(12)2/h6-7,11-13,16H,3-5,8-10H2,1-2H3
InChIKeyYJEJPCLIECXFSC-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107093556) is N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCc1ccc(CNC2CC3CCC(C2)N3C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YJEJPCLIECXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-14-6-7-15(18-14)10-16-11-8-12-4-5-13(9-11)17(12)2/h6-7,11-13,16H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 264.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107093556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).