N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine

C10H20N4O — CID 62450786

IUPACN-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
SMILESCCCOCCn1cc(CNCC)nn1
InChIInChI=1S/C10H20N4O/c1-3-6-15-7-5-14-9-10(12-13-14)8-11-4-2/h9,11H,3-8H2,1-2H3
InChIKeyVBXOAWNHGZYCSE-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.81
Rot. Bonds8

About N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine

N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 62450786) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
PubChem CID62450786
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
SMILESCCCOCCn1cc(CNCC)nn1
InChIInChI=1S/C10H20N4O/c1-3-6-15-7-5-14-9-10(12-13-14)8-11-4-2/h9,11H,3-8H2,1-2H3
InChIKeyVBXOAWNHGZYCSE-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
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-[[1-[2-(3,3-dimethylbutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 66224811
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826
N-[[1-[2-(4,4,4-trifluorobutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 82792791
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
CID 65468849
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-methylpropan-1-amine
CID 62417936

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine (CID 62450786) is N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine is CCCOCCn1cc(CNCC)nn1.
What is the InChIKey of N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is VBXOAWNHGZYCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-6-15-7-5-14-9-10(12-13-14)8-11-4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 212.30 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62450786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).