[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine

C11H22N4O2 — CID 106667738

IUPAC[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
SMILESCOC(C)(C)CCOCCn1cc(CN)nn1
InChIInChI=1S/C11H22N4O2/c1-11(2,16-3)4-6-17-7-5-15-9-10(8-12)13-14-15/h9H,4-8,12H2,1-3H3
InChIKeyUPPWRENRYIGQRA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.57
Rot. Bonds8

About [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine

[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 106667738) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
PubChem CID106667738
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine
SMILESCOC(C)(C)CCOCCn1cc(CN)nn1
InChIInChI=1S/C11H22N4O2/c1-11(2,16-3)4-6-17-7-5-15-9-10(8-12)13-14-15/h9H,4-8,12H2,1-3H3
InChIKeyUPPWRENRYIGQRA-UHFFFAOYSA-N
XLogP0.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
CID 62455320
[1-[2-[(4-methoxyphenyl)methoxy]ethyl]triazol-4-yl]methanamine
CID 62456677
N-[[1-[2-(3,3-dimethylbutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 66224811
1-[2-[2-[2-[2-[2-[5-[2-(3,3-dimethylbutoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(3,3-dimethylbutyl)triazole
CID 170094680
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368
[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449
[1-[2-(2-phenoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 62455620
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
CID 164700684
2-[2-[4-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]triazol-1-yl]ethoxy]ethyl 2-methylpropanoate
CID 129076722
1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90985884

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine (CID 106667738) is [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine is COC(C)(C)CCOCCn1cc(CN)nn1.
What is the InChIKey of [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is UPPWRENRYIGQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,16-3)4-6-17-7-5-15-9-10(8-12)13-14-15/h9H,4-8,12H2,1-3H3.
What are the key properties of [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine?
[1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methoxy-3-methylbutoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 106667738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).