N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine

C13H23BrN4 — CID 106830779

IUPACN-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Br)nnn1C)C1(C)CCCCC1
InChIInChI=1S/C13H23BrN4/c1-4-15-11(10-12(14)16-17-18(10)3)13(2)8-6-5-7-9-13/h11,15H,4-9H2,1-3H3
InChIKeyFHKSMAKJIVCLMG-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.20
Rot. Bonds4

About N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830779) has the molecular formula C13H23BrN4 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830779
Molecular FormulaC13H23BrN4
Molecular Weight315.26 g/mol
Exact Mass314.11
IUPAC NameN-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Br)nnn1C)C1(C)CCCCC1
InChIInChI=1S/C13H23BrN4/c1-4-15-11(10-12(14)16-17-18(10)3)13(2)8-6-5-7-9-13/h11,15H,4-9H2,1-3H3
InChIKeyFHKSMAKJIVCLMG-UHFFFAOYSA-N
XLogP3.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 106462655
[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 106462661
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 106463020

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106830779) is N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1c(Br)nnn1C)C1(C)CCCCC1.
What is the InChIKey of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is FHKSMAKJIVCLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4/c1-4-15-11(10-12(14)16-17-18(10)3)13(2)8-6-5-7-9-13/h11,15H,4-9H2,1-3H3.
What are the key properties of N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 315.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).