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

C17H29N3S — CID 66471027

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCC3CCCCC3N2)s1
InChIInChI=1S/C17H29N3S/c1-11(17-12(2)19-13(3)21-17)18-10-15-9-8-14-6-4-5-7-16(14)20-15/h11,14-16,18,20H,4-10H2,1-3H3
InChIKeyKCRNFXNHRDLDGK-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.72
Rot. Bonds4

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

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 66471027) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID66471027
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCC3CCCCC3N2)s1
InChIInChI=1S/C17H29N3S/c1-11(17-12(2)19-13(3)21-17)18-10-15-9-8-14-6-4-5-7-16(14)20-15/h11,14-16,18,20H,4-10H2,1-3H3
InChIKeyKCRNFXNHRDLDGK-UHFFFAOYSA-N
XLogP3.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine with MolForge

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 54963110
N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 64569173
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
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-3-ylethyl)ethanamine
CID 62676178
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
CID 63929030
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 66471027) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCC2CCC3CCCCC3N2)s1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is KCRNFXNHRDLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-11(17-12(2)19-13(3)21-17)18-10-15-9-8-14-6-4-5-7-16(14)20-15/h11,14-16,18,20H,4-10H2,1-3H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 307.51 g/mol, XLogP of 3.72, 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 66471027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).