2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine

C12H24N4O2 — CID 156664288

IUPAC2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)(C)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O2/c1-12(2,3)13-5-8-17-10-11-18-9-7-16-6-4-14-15-16/h4,6,13H,5,7-11H2,1-3H3
InChIKeyYDAAORPZLPOILN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.70
Rot. Bonds9

About 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine

2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 156664288) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
PubChem CID156664288
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)(C)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O2/c1-12(2,3)13-5-8-17-10-11-18-9-7-16-6-4-14-15-16/h4,6,13H,5,7-11H2,1-3H3
InChIKeyYDAAORPZLPOILN-UHFFFAOYSA-N
XLogP0.70
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.70
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

1-[2-(2-Methoxyethoxy)ethyl]triazole
CID 58803592
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
1-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]triazole
CID 154016426
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 156664332
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide
CID 156664434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine (CID 156664288) is 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine is CC(C)(C)NCCOCCOCCn1ccnn1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is YDAAORPZLPOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(2,3)13-5-8-17-10-11-18-9-7-16-6-4-14-15-16/h4,6,13H,5,7-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine?
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 256.35 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 156664288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).