N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine

C12H24N4O2 — CID 159191792

IUPACN-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine
SMILESCCCNCOCCOCCc1cn(CC)nn1
InChIInChI=1S/C12H24N4O2/c1-3-6-13-11-18-9-8-17-7-5-12-10-16(4-2)15-14-12/h10,13H,3-9,11H2,1-2H3
InChIKeyIJKXBLSFWHISRH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.83
Rot. Bonds11

About N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine

N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine (PubChem CID 159191792) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine
PubChem CID159191792
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine
SMILESCCCNCOCCOCCc1cn(CC)nn1
InChIInChI=1S/C12H24N4O2/c1-3-6-13-11-18-9-8-17-7-5-12-10-16(4-2)15-14-12/h10,13H,3-9,11H2,1-2H3
InChIKeyIJKXBLSFWHISRH-UHFFFAOYSA-N
XLogP0.83
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
CID 155402046
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine
CID 155741144
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
CID 157240697
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
bis(1,4-diethyltriazole);ethane
CID 160569546
2-(1-ethyltriazol-4-yl)ethanesulfonyl chloride
CID 84789431

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine (CID 159191792) is N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine is CCCNCOCCOCCc1cn(CC)nn1.
What is the InChIKey of N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine?
The InChIKey is IJKXBLSFWHISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-6-13-11-18-9-8-17-7-5-12-10-16(4-2)15-14-12/h10,13H,3-9,11H2,1-2H3.
What are the key properties of N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine?
N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 0.83, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine is sourced from PubChem (CID 159191792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).