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

C16H26N2S — CID 63292313

IUPACN-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-3-17-13-10-14-6-7-15(11-13)18(14)12(2)9-16-5-4-8-19-16/h4-5,8,12-15,17H,3,6-7,9-11H2,1-2H3
InChIKeyUQSMSWXNXUCEPY-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.28
Rot. Bonds5

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

N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63292313) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63292313
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-3-17-13-10-14-6-7-15(11-13)18(14)12(2)9-16-5-4-8-19-16/h4-5,8,12-15,17H,3,6-7,9-11H2,1-2H3
InChIKeyUQSMSWXNXUCEPY-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-ethyl-2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55172141
N-ethyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738648
N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 79407166
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
8-(3,3-dimethylbutan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 104830045
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
CID 66152012
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738480
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105265876
N-ethyl-9-(1-pyrrolidin-1-ylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 63292313) is N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2C(C)Cc1cccs1.
What is the InChIKey of N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UQSMSWXNXUCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-17-13-10-14-6-7-15(11-13)18(14)12(2)9-16-5-4-8-19-16/h4-5,8,12-15,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(1-thiophen-2-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63292313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).