N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C17H22N2S — CID 64830997

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCC1CC2CCC1C2)c1cnc2ccsc2c1
InChIInChI=1S/C17H22N2S/c1-11(14-8-17-16(19-9-14)4-5-20-17)18-10-15-7-12-2-3-13(15)6-12/h4-5,8-9,11-13,15,18H,2-3,6-7,10H2,1H3
InChIKeyYGPNBIYOLFEYPZ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.38
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 64830997) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID64830997
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCC1CC2CCC1C2)c1cnc2ccsc2c1
InChIInChI=1S/C17H22N2S/c1-11(14-8-17-16(19-9-14)4-5-20-17)18-10-15-7-12-2-3-13(15)6-12/h4-5,8-9,11-13,15,18H,2-3,6-7,10H2,1H3
InChIKeyYGPNBIYOLFEYPZ-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine with MolForge

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Related Compounds

2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexan-1-ol
CID 64928442
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831319
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
2,2-dimethyl-3-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 115359066
2-methyl-3-pyrrolidin-1-yl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
CID 64830975
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
[1-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexyl]methanol
CID 115892911

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 64830997) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(NCC1CC2CCC1C2)c1cnc2ccsc2c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is YGPNBIYOLFEYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-11(14-8-17-16(19-9-14)4-5-20-17)18-10-15-7-12-2-3-13(15)6-12/h4-5,8-9,11-13,15,18H,2-3,6-7,10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 64830997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).