N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine

C22H34N4OSi — CID 10386178

IUPACN-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine
SMILESCCCCCCCCN(C(c1ccco1)n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C22H34N4OSi/c1-5-6-7-8-9-12-17-25(28(2,3)4)22(21-16-13-18-27-21)26-20-15-11-10-14-19(20)23-24-26/h10-11,13-16,18,22H,5-9,12,17H2,1-4H3
InChIKeyGURREOBDMGABEJ-UHFFFAOYSA-N
MW398.63 g/mol
LogP6.07
Rot. Bonds11

About N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine

N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine (PubChem CID 10386178) has the molecular formula C22H34N4OSi and a molecular weight of 398.63 g/mol. Its IUPAC name is N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine.

Molecular Properties

Compound NameN-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine
PubChem CID10386178
Molecular FormulaC22H34N4OSi
Molecular Weight398.63 g/mol
Exact Mass398.25
IUPAC NameN-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine
SMILESCCCCCCCCN(C(c1ccco1)n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C22H34N4OSi/c1-5-6-7-8-9-12-17-25(28(2,3)4)22(21-16-13-18-27-21)26-20-15-11-10-14-19(20)23-24-26/h10-11,13-16,18,22H,5-9,12,17H2,1-4H3
InChIKeyGURREOBDMGABEJ-UHFFFAOYSA-N
XLogP6.07
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine
CID 10411357
N-[1-(furan-2-yl)ethyl]-N-trimethylsilyloctan-1-amine
CID 10402268
N-[1-(benzotriazol-1-yl)ethyl]-N-dodecyldodecan-1-amine
CID 67608822
N-[1-(furan-2-yl)pentyl]-N-trimethylsilyloctan-1-amine
CID 10404831
1-(1-chlorododecyl)benzotriazole
CID 4561404
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
1-tridecylbenzotriazole
CID 21059042
silver 1-octylbenzotriazole
CID 19818350
2-[1-(benzotriazol-1-yl)nonyl]-1,3-benzoxazole
CID 3709134
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515

Frequently Asked Questions

What is the IUPAC name of N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine?
The IUPAC name of N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine (CID 10386178) is N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine.
What is the SMILES notation for N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine?
The canonical SMILES for N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine is CCCCCCCCN(C(c1ccco1)n1nnc2ccccc21)[Si](C)(C)C.
What is the InChIKey of N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine?
The InChIKey is GURREOBDMGABEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4OSi/c1-5-6-7-8-9-12-17-25(28(2,3)4)22(21-16-13-18-27-21)26-20-15-11-10-14-19(20)23-24-26/h10-11,13-16,18,22H,5-9,12,17H2,1-4H3.
What are the key properties of N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine?
N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine has a molecular weight of 398.63 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine is sourced from PubChem (CID 10386178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).