2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol

C14H28N4O — CID 66270359

IUPAC2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)CCCCCCNCc1cn(CCO)nn1
InChIInChI=1S/C14H28N4O/c1-13(2)7-5-3-4-6-8-15-11-14-12-18(9-10-19)17-16-14/h12-13,15,19H,3-11H2,1-2H3
InChIKeyXBYGDDYNVSQBTM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds11

About 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol

2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol (PubChem CID 66270359) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
PubChem CID66270359
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
SMILESCC(C)CCCCCCNCc1cn(CCO)nn1
InChIInChI=1S/C14H28N4O/c1-13(2)7-5-3-4-6-8-15-11-14-12-18(9-10-19)17-16-14/h12-13,15,19H,3-11H2,1-2H3
InChIKeyXBYGDDYNVSQBTM-UHFFFAOYSA-N
XLogP1.97
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
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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Related Compounds

6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]butan-2-ol
CID 66269646
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-[4-[[3-(diethylamino)propylamino]methyl]triazol-1-yl]ethanol
CID 66268074
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
2-[4-[(octan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66269808
2-[4-[(2-methylsulfanylethylamino)methyl]triazol-1-yl]ethanol
CID 66270211
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[4-[(2,2,3-trimethylbutylamino)methyl]triazol-1-yl]ethanol
CID 114099502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol (CID 66270359) is 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol is CC(C)CCCCCCNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol?
The InChIKey is XBYGDDYNVSQBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-13(2)7-5-3-4-6-8-15-11-14-12-18(9-10-19)17-16-14/h12-13,15,19H,3-11H2,1-2H3.
What are the key properties of 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol?
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol has a molecular weight of 268.40 g/mol, XLogP of 1.97, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).