N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H26N2S — CID 62740022

IUPACN-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)c1ccc(C)s1
InChIInChI=1S/C16H26N2S/c1-4-17-13-9-14-6-7-15(10-13)18(14)12(3)16-8-5-11(2)19-16/h5,8,12-15,17H,4,6-7,9-10H2,1-3H3
InChIKeyUCHMWTPYFQGEIO-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.72
Rot. Bonds4

About N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740022) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740022
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)c1ccc(C)s1
InChIInChI=1S/C16H26N2S/c1-4-17-13-9-14-6-7-15(10-13)18(14)12(3)16-8-5-11(2)19-16/h5,8,12-15,17H,4,6-7,9-10H2,1-3H3
InChIKeyUCHMWTPYFQGEIO-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 54953677
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66242436
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63292313
N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738648
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
8-(3,3-dimethylbutan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 104830045
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114204166
N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 115306877
2-(cyclobutylamino)-1-(5-methylthiophen-2-yl)ethanol
CID 117239920
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 62740022) is N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2C(C)c1ccc(C)s1.
What is the InChIKey of N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UCHMWTPYFQGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-17-13-9-14-6-7-15(10-13)18(14)12(3)16-8-5-11(2)19-16/h5,8,12-15,17H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).