N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C16H27N3S — CID 66470237

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCC2CCC3CCCCC3N2)n1
InChIInChI=1S/C16H27N3S/c1-11-10-20-16(18-11)12(2)17-9-14-8-7-13-5-3-4-6-15(13)19-14/h10,12-15,17,19H,3-9H2,1-2H3
InChIKeyUMSYDWYPASUFEZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.41
Rot. Bonds4

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 66470237) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID66470237
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCC2CCC3CCCCC3N2)n1
InChIInChI=1S/C16H27N3S/c1-11-10-20-16(18-11)12(2)17-9-14-8-7-13-5-3-4-6-15(13)19-14/h10,12-15,17,19H,3-9H2,1-2H3
InChIKeyUMSYDWYPASUFEZ-UHFFFAOYSA-N
XLogP3.41
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 66470237) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCC2CCC3CCCCC3N2)n1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is UMSYDWYPASUFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-11-10-20-16(18-11)12(2)17-9-14-8-7-13-5-3-4-6-15(13)19-14/h10,12-15,17,19H,3-9H2,1-2H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 66470237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).