N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine

C10H20N4O2 — CID 103179432

IUPACN-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine
SMILESCOCCCOCCNCCn1ccnn1
InChIInChI=1S/C10H20N4O2/c1-15-8-2-9-16-10-5-11-3-6-14-7-4-12-13-14/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKeyVAXSPJHGBQAVSU-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.08
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine

N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine (PubChem CID 103179432) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine
PubChem CID103179432
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine
SMILESCOCCCOCCNCCn1ccnn1
InChIInChI=1S/C10H20N4O2/c1-15-8-2-9-16-10-5-11-3-6-14-7-4-12-13-14/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKeyVAXSPJHGBQAVSU-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

2-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104444723
2-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104444740
3-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 104445099
3-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 104445113
1-(2-Ethoxyethyl)triazole
CID 12538950
2-[(1H-1,2,3-Triazol-1-yl)methyl]morpholine
CID 18329925
2-(Triazol-1-yl)morpholine
CID 69572380
1-(1,3-Dimethoxypropan-2-yl)triazole
CID 70615679
2-[2-(1H-1,2,3-Triazol-1-yl)ethoxy]ethan-1-amine
CID 86262487
1-[2-(2-Propan-2-yloxyethoxy)ethyl]triazole
CID 132176833
1-[2-(2-Azidoethoxy)ethyl]triazole
CID 138714491
2-(Triazol-1-ylmethyl)-1,3-oxazolidine
CID 139972157

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine (CID 103179432) is N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine is COCCCOCCNCCn1ccnn1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is VAXSPJHGBQAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-15-8-2-9-16-10-5-11-3-6-14-7-4-12-13-14/h4,7,11H,2-3,5-6,8-10H2,1H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine?
N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine 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 N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 103179432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).