N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

C16H29N5 — CID 115998241

IUPACN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H29N5/c1-4-17-15(10-16-18-11-19-21(16)5-2)12-8-13-6-7-14(9-12)20(13)3/h11-15,17H,4-10H2,1-3H3
InChIKeyQEWZWMDYWHTAKW-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.69
Rot. Bonds6

About N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine

N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 115998241) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID115998241
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H29N5/c1-4-17-15(10-16-18-11-19-21(16)5-2)12-8-13-6-7-14(9-12)20(13)3/h11-15,17H,4-10H2,1-3H3
InChIKeyQEWZWMDYWHTAKW-UHFFFAOYSA-N
XLogP1.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105265858
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998211
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
N-[1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115337026
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002052
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 112680629
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79096058
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112681282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 115998241) is N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is CCNC(Cc1ncnn1CC)C1CC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is QEWZWMDYWHTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-17-15(10-16-18-11-19-21(16)5-2)12-8-13-6-7-14(9-12)20(13)3/h11-15,17H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 115998241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).