1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole

C16H31N3O — CID 123155360

IUPAC1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole
SMILESCCCC(C)(C)Cn1cc(COC(C)(C)CCC)nn1
InChIInChI=1S/C16H31N3O/c1-7-9-15(3,4)13-19-11-14(17-18-19)12-20-16(5,6)10-8-2/h11H,7-10,12-13H2,1-6H3
InChIKeyRFPKXTZLNMQEFI-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.20
Rot. Bonds9

About 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole

1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole (PubChem CID 123155360) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole.

Molecular Properties

Compound Name1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole
PubChem CID123155360
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole
SMILESCCCC(C)(C)Cn1cc(COC(C)(C)CCC)nn1
InChIInChI=1S/C16H31N3O/c1-7-9-15(3,4)13-19-11-14(17-18-19)12-20-16(5,6)10-8-2/h11H,7-10,12-13H2,1-6H3
InChIKeyRFPKXTZLNMQEFI-UHFFFAOYSA-N
XLogP4.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropyl)-4-(ethoxymethyl)triazole
CID 137417176
ethane;ethanol;hydrogen peroxide;4-(methoxymethyl)-1-(2,2,4-trimethylpentyl)triazole
CID 167448164
4-[3-[(1-butyltriazol-4-yl)methoxy]-3-methylbutoxy]-4-methyl-N-(3-methylpentan-3-yl)pentanamide
CID 166949146
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
[1-[2-(2-methylbutan-2-yloxy)ethyl]triazol-4-yl]methanamine
CID 62455320
N-methyl-N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]ethanamine
CID 171557191
N-methyl-N-[[1-[2,2,4-trimethyl-4-(2-methylpropoxy)hexyl]triazol-4-yl]methyl]propan-2-amine
CID 178008517
ethyl 2,2-difluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propanoate
CID 165487903
1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole
CID 134361230
1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496907
1-(6,6-dimethylheptyl)-4-propyltriazole
CID 157335389
ethane;1-[1-[2-methyl-2-(3-methylbutoxy)propyl]triazol-4-yl]pentan-3-one;2-methylpropan-1-ol
CID 167447993

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole?
The IUPAC name of 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole (CID 123155360) is 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole.
What is the SMILES notation for 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole?
The canonical SMILES for 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole is CCCC(C)(C)Cn1cc(COC(C)(C)CCC)nn1.
What is the InChIKey of 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole?
The InChIKey is RFPKXTZLNMQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-9-15(3,4)13-19-11-14(17-18-19)12-20-16(5,6)10-8-2/h11H,7-10,12-13H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole?
1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole has a molecular weight of 281.44 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentyl)-4-(2-methylpentan-2-yloxymethyl)triazole is sourced from PubChem (CID 123155360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).