N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

C17H29N3S — CID 62432430

IUPACN-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CN2CCCC3CCCCC32)cs1
InChIInChI=1S/C17H29N3S/c1-13(2)18-10-17-19-15(12-21-17)11-20-9-5-7-14-6-3-4-8-16(14)20/h12-14,16,18H,3-11H2,1-2H3
InChIKeyYLODXTGHCHKFGH-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.80
Rot. Bonds5

About N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine

N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62432430) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62432430
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CN2CCCC3CCCCC32)cs1
InChIInChI=1S/C17H29N3S/c1-13(2)18-10-17-19-15(12-21-17)11-20-9-5-7-14-6-3-4-8-16(14)20/h12-14,16,18H,3-11H2,1-2H3
InChIKeyYLODXTGHCHKFGH-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 82752697
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55069860
N-[[4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 104692365
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106589398
N-[[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 79164532
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62413800
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 83044336
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443365
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55074045

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62432430) is N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(CN2CCCC3CCCCC32)cs1.
What is the InChIKey of N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is YLODXTGHCHKFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13(2)18-10-17-19-15(12-21-17)11-20-9-5-7-14-6-3-4-8-16(14)20/h12-14,16,18H,3-11H2,1-2H3.
What are the key properties of N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62432430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).