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

C17H30N4 — CID 115998211

IUPACN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H30N4/c1-4-18-17(8-13-11-19-21(5-2)12-13)14-9-15-6-7-16(10-14)20(15)3/h11-12,14-18H,4-10H2,1-3H3
InChIKeyBDTJESCHURLGNG-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.30
Rot. Bonds6

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

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 115998211) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID115998211
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)C1CC2CCC(C1)N2C
InChIInChI=1S/C17H30N4/c1-4-18-17(8-13-11-19-21(5-2)12-13)14-9-15-6-7-16(10-14)20(15)3/h11-12,14-18H,4-10H2,1-3H3
InChIKeyBDTJESCHURLGNG-UHFFFAOYSA-N
XLogP2.30
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115336818
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
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112681282
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79095875
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334757
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115336880
N-ethyl-1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65413948

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 115998211) is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is CCNC(Cc1cnn(CC)c1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is BDTJESCHURLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-18-17(8-13-11-19-21(5-2)12-13)14-9-15-6-7-16(10-14)20(15)3/h11-12,14-18H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine?
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 290.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 115998211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).