N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine

C10H20N4O — CID 114690126

IUPACN-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1CCNCCOC
InChIInChI=1S/C10H20N4O/c1-3-7-14-10(9-12-13-14)4-5-11-6-8-15-2/h9,11H,3-8H2,1-2H3
InChIKeyZTMZZYMEXRMCBC-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.47
Rot. Bonds8

About N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine

N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114690126) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
PubChem CID114690126
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1CCNCCOC
InChIInChI=1S/C10H20N4O/c1-3-7-14-10(9-12-13-14)4-5-11-6-8-15-2/h9,11H,3-8H2,1-2H3
InChIKeyZTMZZYMEXRMCBC-UHFFFAOYSA-N
XLogP0.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
CID 156861020
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
CID 114690351
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
N-propyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690387
[3-(2-methoxyethyl)triazol-4-yl]methanol
CID 112757669
4-(3-propyltriazol-4-yl)butan-2-amine
CID 114690307
1-(3-propyltriazol-4-yl)pentan-3-amine
CID 114690321
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690382
N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine
CID 167242998

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine (CID 114690126) is N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1CCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is ZTMZZYMEXRMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-7-14-10(9-12-13-14)4-5-11-6-8-15-2/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine?
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 212.30 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114690126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).