N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H28N4 — CID 115990249

IUPACN-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1nn(C)cc1CN(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-4-16-12(10-19(3)18-16)11-20(5-2)15-8-13-6-7-14(9-15)17-13/h10,13-15,17H,4-9,11H2,1-3H3
InChIKeyAMBYFMYPQPGDRD-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 115990249) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID115990249
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1nn(C)cc1CN(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-4-16-12(10-19(3)18-16)11-20(5-2)15-8-13-6-7-14(9-15)17-13/h10,13-15,17H,4-9,11H2,1-3H3
InChIKeyAMBYFMYPQPGDRD-UHFFFAOYSA-N
XLogP2.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 128964578
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231921
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63208507
N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231920
5-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632340
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79770135
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 115990249) is N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCc1nn(C)cc1CN(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AMBYFMYPQPGDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-16-12(10-19(3)18-16)11-20(5-2)15-8-13-6-7-14(9-15)17-13/h10,13-15,17H,4-9,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 115990249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).