2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol

C12H24N4O — CID 155228319

IUPAC2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol
SMILESCC(C)Cc1cn(CC(C)CNCCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)6-12-9-16(15-14-12)8-11(3)7-13-4-5-17/h9-11,13,17H,4-8H2,1-3H3
InChIKeyZVCCOBRDJQBBES-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.69
Rot. Bonds8

About 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol

2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol (PubChem CID 155228319) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol
PubChem CID155228319
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol
SMILESCC(C)Cc1cn(CC(C)CNCCO)nn1
InChIInChI=1S/C12H24N4O/c1-10(2)6-12-9-16(15-14-12)8-11(3)7-13-4-5-17/h9-11,13,17H,4-8H2,1-3H3
InChIKeyZVCCOBRDJQBBES-UHFFFAOYSA-N
XLogP0.69
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol?
The IUPAC name of 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol (CID 155228319) is 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol?
The canonical SMILES for 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol is CC(C)Cc1cn(CC(C)CNCCO)nn1.
What is the InChIKey of 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol?
The InChIKey is ZVCCOBRDJQBBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(2)6-12-9-16(15-14-12)8-11(3)7-13-4-5-17/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol?
2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol has a molecular weight of 240.35 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-[4-(2-methylpropyl)triazol-1-yl]propyl]amino]ethanol is sourced from PubChem (CID 155228319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).