N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine

C15H24N2S — CID 112681283

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H24N2S/c1-3-16-15(11-6-7-18-10-11)12-8-13-4-5-14(9-12)17(13)2/h6-7,10,12-16H,3-5,8-9H2,1-2H3
InChIKeyJAPINLWBLKVACJ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.27
Rot. Bonds4

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 112681283) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
PubChem CID112681283
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H24N2S/c1-3-16-15(11-6-7-18-10-11)12-8-13-4-5-14(9-12)17(13)2/h6-7,10,12-16H,3-5,8-9H2,1-2H3
InChIKeyJAPINLWBLKVACJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine with MolForge

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Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273
N-[(1,1-dioxothiolan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 115336829
N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 114216048
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
tert-butyl 3-[ethylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092467
N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
CID 65104862
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[(2-fluoro-5-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998275

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine (CID 112681283) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is JAPINLWBLKVACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-16-15(11-6-7-18-10-11)12-8-13-4-5-14(9-12)17(13)2/h6-7,10,12-16H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.27, 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)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 112681283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).