N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine

C14H28N4O3 — CID 104562867

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
SMILESCCCCOCCOCCOCCNCCn1ccnn1
InChIInChI=1S/C14H28N4O3/c1-2-3-9-19-11-13-21-14-12-20-10-6-15-4-7-18-8-5-16-17-18/h5,8,15H,2-4,6-7,9-14H2,1H3
InChIKeyRXDOQCXQNYNQMJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.72
Rot. Bonds15

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine (PubChem CID 104562867) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
PubChem CID104562867
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
SMILESCCCCOCCOCCOCCNCCn1ccnn1
InChIInChI=1S/C14H28N4O3/c1-2-3-9-19-11-13-21-14-12-20-10-6-15-4-7-18-8-5-16-17-18/h5,8,15H,2-4,6-7,9-14H2,1H3
InChIKeyRXDOQCXQNYNQMJ-UHFFFAOYSA-N
XLogP0.72
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104444740
3-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 104445113
1-[2-(2-Methoxyethoxy)ethyl]triazole
CID 58803592
2-(Triazol-1-yl)morpholine
CID 69572380
2-[2-(1H-1,2,3-Triazol-1-yl)ethoxy]ethan-1-amine
CID 86262487
4,5-Dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole
CID 118951426
1-[2-(2-Propan-2-yloxyethoxy)ethyl]triazole
CID 132176833
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
ethane;N-methyl-2-[2-[2-[2-(5-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625682
N-methyl-2-[2-[2-[2-(5-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625683
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine (CID 104562867) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine is CCCCOCCOCCOCCNCCn1ccnn1.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is RXDOQCXQNYNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-2-3-9-19-11-13-21-14-12-20-10-6-15-4-7-18-8-5-16-17-18/h5,8,15H,2-4,6-7,9-14H2,1H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 300.40 g/mol, XLogP of 0.72, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 104562867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).