1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine

C10H19BrN4O — CID 106464917

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-4-16-7-5-6-8(12-2)9-10(11)13-14-15(9)3/h8,12H,4-7H2,1-3H3
InChIKeyFGVYMHUWCBNTCY-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.65
Rot. Bonds7

About 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine (PubChem CID 106464917) has the molecular formula C10H19BrN4O and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
PubChem CID106464917
Molecular FormulaC10H19BrN4O
Molecular Weight291.19 g/mol
Exact Mass290.07
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
SMILESCCOCCCC(NC)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-4-16-7-5-6-8(12-2)9-10(11)13-14-15(9)3/h8,12H,4-7H2,1-3H3
InChIKeyFGVYMHUWCBNTCY-UHFFFAOYSA-N
XLogP1.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106463119
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxy-N-methylbutan-1-amine
CID 105184243
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106465261
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106466287

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine (CID 106464917) is 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine is CCOCCCC(NC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine?
The InChIKey is FGVYMHUWCBNTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O/c1-4-16-7-5-6-8(12-2)9-10(11)13-14-15(9)3/h8,12H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine has a molecular weight of 291.19 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine is sourced from PubChem (CID 106464917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).