N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine

C13H26N4O2 — CID 171106565

IUPACN-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCc1cn(C(C)C)nn1
InChIInChI=1S/C13H26N4O2/c1-11(2)14-5-6-18-7-8-19-10-13-9-17(12(3)4)16-15-13/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyZQBHBEUMSGSGFL-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.39
Rot. Bonds10

About N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine

N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 171106565) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine
PubChem CID171106565
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCc1cn(C(C)C)nn1
InChIInChI=1S/C13H26N4O2/c1-11(2)14-5-6-18-7-8-19-10-13-9-17(12(3)4)16-15-13/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyZQBHBEUMSGSGFL-UHFFFAOYSA-N
XLogP1.39
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine (CID 171106565) is N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOCc1cn(C(C)C)nn1.
What is the InChIKey of N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is ZQBHBEUMSGSGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-11(2)14-5-6-18-7-8-19-10-13-9-17(12(3)4)16-15-13/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 1.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 171106565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).