N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C16H27N3S — CID 65322394

IUPACN-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCC3CCCC32)n1
InChIInChI=1S/C16H27N3S/c1-3-9-17-12(2)14-11-20-16(18-14)19-10-5-7-13-6-4-8-15(13)19/h11-13,15,17H,3-10H2,1-2H3
InChIKeyYFJBZWSRNULZDT-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.97
Rot. Bonds5

About N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 65322394) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID65322394
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CCCC3CCCC32)n1
InChIInChI=1S/C16H27N3S/c1-3-9-17-12(2)14-11-20-16(18-14)19-10-5-7-13-6-4-8-15(13)19/h11-13,15,17H,3-10H2,1-2H3
InChIKeyYFJBZWSRNULZDT-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 65322394) is N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CCCC3CCCC32)n1.
What is the InChIKey of N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is YFJBZWSRNULZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-9-17-12(2)14-11-20-16(18-14)19-10-5-7-13-6-4-8-15(13)19/h11-13,15,17H,3-10H2,1-2H3.
What are the key properties of N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65322394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).