1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine

C11H21BrN4 — CID 106462385

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1c(Br)nnn1C
InChIInChI=1S/C11H21BrN4/c1-6-13-8(7-11(2,3)4)9-10(12)14-15-16(9)5/h8,13H,6-7H2,1-5H3
InChIKeyZMJHZJQNSKRKHW-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.66
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 106462385) has the molecular formula C11H21BrN4 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID106462385
Molecular FormulaC11H21BrN4
Molecular Weight289.22 g/mol
Exact Mass288.09
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1c(Br)nnn1C
InChIInChI=1S/C11H21BrN4/c1-6-13-8(7-11(2,3)4)9-10(12)14-15-16(9)5/h8,13H,6-7H2,1-5H3
InChIKeyZMJHZJQNSKRKHW-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylbut-3-en-1-amine
CID 106462953
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-bromophenyl)sulfanyl-N-ethylethanamine
CID 106462592
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 106462644
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
N-[(5-bromo-3-methyltriazol-4-yl)-phenylmethyl]ethanamine
CID 106462129
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 106462385) is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is ZMJHZJQNSKRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4/c1-6-13-8(7-11(2,3)4)9-10(12)14-15-16(9)5/h8,13H,6-7H2,1-5H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 289.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 106462385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).