N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine

C14H26N4O — CID 79599180

IUPACN-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ncnn1CC(C)C
InChIInChI=1S/C14H26N4O/c1-13(2)11-18-14(16-12-17-18)7-5-4-6-8-15-9-10-19-3/h4-5,12-13,15H,6-11H2,1-3H3
InChIKeyUNCMNWNOPSXRFK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.66
Rot. Bonds10

About N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine

N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine (PubChem CID 79599180) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
PubChem CID79599180
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
SMILESCOCCNCCC=CCc1ncnn1CC(C)C
InChIInChI=1S/C14H26N4O/c1-13(2)11-18-14(16-12-17-18)7-5-4-6-8-15-9-10-19-3/h4-5,12-13,15H,6-11H2,1-3H3
InChIKeyUNCMNWNOPSXRFK-UHFFFAOYSA-N
XLogP1.66
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine (CID 79599180) is N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine is COCCNCCC=CCc1ncnn1CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine?
The InChIKey is UNCMNWNOPSXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2)11-18-14(16-12-17-18)7-5-4-6-8-15-9-10-19-3/h4-5,12-13,15H,6-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine?
N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine is sourced from PubChem (CID 79599180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).