1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine

C14H26BrN5O — CID 106462644

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCCNC(c1c(Br)nnn1C)C(C)(CC)N1CCOCC1
InChIInChI=1S/C14H26BrN5O/c1-5-14(3,20-7-9-21-10-8-20)12(16-6-2)11-13(15)17-18-19(11)4/h12,16H,5-10H2,1-4H3
InChIKeyCRQGAHQNNZTFBB-UHFFFAOYSA-N
MW360.30 g/mol
LogP1.73
Rot. Bonds6

About 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 106462644) has the molecular formula C14H26BrN5O and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine
PubChem CID106462644
Molecular FormulaC14H26BrN5O
Molecular Weight360.30 g/mol
Exact Mass359.13
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCCNC(c1c(Br)nnn1C)C(C)(CC)N1CCOCC1
InChIInChI=1S/C14H26BrN5O/c1-5-14(3,20-7-9-21-10-8-20)12(16-6-2)11-13(15)17-18-19(11)4/h12,16H,5-10H2,1-4H3
InChIKeyCRQGAHQNNZTFBB-UHFFFAOYSA-N
XLogP1.73
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine
CID 79064967
1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106462639
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 114656870
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106462995
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
N,2-dimethyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79057876
N-[(5-bromo-3-methyltriazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106462720
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 106463020
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
N-[(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 106464640

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine (CID 106462644) is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine is CCNC(c1c(Br)nnn1C)C(C)(CC)N1CCOCC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is CRQGAHQNNZTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN5O/c1-5-14(3,20-7-9-21-10-8-20)12(16-6-2)11-13(15)17-18-19(11)4/h12,16H,5-10H2,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 360.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 106462644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).