N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

C15H25N3S — CID 112681282

IUPACN-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H25N3S/c1-3-17-15(8-14-9-16-10-19-14)11-6-12-4-5-13(7-11)18(12)2/h9-13,15,17H,3-8H2,1-2H3
InChIKeyANLUNDRYVZVHQP-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112681282) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112681282
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H25N3S/c1-3-17-15(8-14-9-16-10-19-14)11-6-12-4-5-13(7-11)18(12)2/h9-13,15,17H,3-8H2,1-2H3
InChIKeyANLUNDRYVZVHQP-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine with MolForge

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Related Compounds

N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030316
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998211
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
1-cyclopropyl-N-ethyl-1-methoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116722677
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105265876
N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 115998333
N-ethyl-3-methyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643040
N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107004920
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine
CID 112681260
N-[1-(2,2-dimethylcyclopentyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107190647
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105265799
N-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 112681282) is N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is ANLUNDRYVZVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-17-15(8-14-9-16-10-19-14)11-6-12-4-5-13(7-11)18(12)2/h9-13,15,17H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112681282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).