N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

C14H24BrN5 — CID 106462913

IUPACN-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(Br)nnn1C)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H24BrN5/c1-4-16-12(13-14(15)17-18-20(13)3)9-7-10-5-6-11(8-9)19(10)2/h9-12,16H,4-8H2,1-3H3
InChIKeyBIXYVLVDJUCPNR-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.10
Rot. Bonds4

About N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine

N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (PubChem CID 106462913) has the molecular formula C14H24BrN5 and a molecular weight of 342.29 g/mol. Its IUPAC name is N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
PubChem CID106462913
Molecular FormulaC14H24BrN5
Molecular Weight342.29 g/mol
Exact Mass341.12
IUPAC NameN-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(Br)nnn1C)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H24BrN5/c1-4-16-12(13-14(15)17-18-20(13)3)9-7-10-5-6-11(8-9)19(10)2/h9-12,16H,4-8H2,1-3H3
InChIKeyBIXYVLVDJUCPNR-UHFFFAOYSA-N
XLogP2.10
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912
N-[(4-bromo-1-methylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 114660219
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
N-[(5-bromo-3-methyltriazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106462720
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-phenylmethyl]ethanamine
CID 112681259
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 112681257
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
N-[(3,5-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 115998273
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
N-[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 106464590

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine (CID 106462913) is N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is CCNC(c1c(Br)nnn1C)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
The InChIKey is BIXYVLVDJUCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN5/c1-4-16-12(13-14(15)17-18-20(13)3)9-7-10-5-6-11(8-9)19(10)2/h9-12,16H,4-8H2,1-3H3.
What are the key properties of N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine?
N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine has a molecular weight of 342.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methyltriazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine is sourced from PubChem (CID 106462913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).