3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine

C10H20N4O2 — CID 103409649

IUPAC3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNCCn1ccnn1
InChIInChI=1S/C10H20N4O2/c1-15-9-10-16-8-2-3-11-4-6-14-7-5-12-13-14/h5,7,11H,2-4,6,8-10H2,1H3
InChIKeyOMNRGGDWCZYUAC-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.08
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine

3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine (PubChem CID 103409649) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine
PubChem CID103409649
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNCCn1ccnn1
InChIInChI=1S/C10H20N4O2/c1-15-9-10-16-8-2-3-11-4-6-14-7-5-12-13-14/h5,7,11H,2-4,6,8-10H2,1H3
InChIKeyOMNRGGDWCZYUAC-UHFFFAOYSA-N
XLogP-0.08
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.08
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

N-[2-(triazol-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 104444497
3-(triazol-1-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 104444880
1-(3-Ethoxypropyl)triazole
CID 121367220
2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081
N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine
CID 153319100
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
CID 156664288
2,2-dimethyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propanamide
CID 156664526
1-[3-[[3-(2-Methoxyethyl)-3-aza-1-azonia-2-azanidacyclopent-4-en-1-yl]methoxy]propyl]triazole
CID 163631258
1-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]hex-4-yn-2-amine
CID 169963977
1-(4-Pent-3-ynoxybutoxy)-3-(triazol-1-yl)propan-2-amine
CID 169963981
4-(3-Pent-3-ynoxypropoxy)-1-(triazol-1-yl)butan-2-amine
CID 169963982

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine (CID 103409649) is 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine is COCCOCCCNCCn1ccnn1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine?
The InChIKey is OMNRGGDWCZYUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-15-9-10-16-8-2-3-11-4-6-14-7-5-12-13-14/h5,7,11H,2-4,6,8-10H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine has a molecular weight of 228.30 g/mol, XLogP of -0.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103409649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).