N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine

C26H37N5Si — CID 10411357

IUPACN-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine
SMILESCCCCCCCCN(C(c1c[nH]c2ccccc12)n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C26H37N5Si/c1-5-6-7-8-9-14-19-30(32(2,3)4)26(22-20-27-23-16-11-10-15-21(22)23)31-25-18-13-12-17-24(25)28-29-31/h10-13,15-18,20,26-27H,5-9,14,19H2,1-4H3
InChIKeyUMRACMSFUIBFLZ-UHFFFAOYSA-N
MW447.70 g/mol
LogP6.96
Rot. Bonds11

About N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine

N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine (PubChem CID 10411357) has the molecular formula C26H37N5Si and a molecular weight of 447.70 g/mol. Its IUPAC name is N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine.

Molecular Properties

Compound NameN-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine
PubChem CID10411357
Molecular FormulaC26H37N5Si
Molecular Weight447.70 g/mol
Exact Mass447.28
IUPAC NameN-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine
SMILESCCCCCCCCN(C(c1c[nH]c2ccccc12)n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C26H37N5Si/c1-5-6-7-8-9-14-19-30(32(2,3)4)26(22-20-27-23-16-11-10-15-21(22)23)31-25-18-13-12-17-24(25)28-29-31/h10-13,15-18,20,26-27H,5-9,14,19H2,1-4H3
InChIKeyUMRACMSFUIBFLZ-UHFFFAOYSA-N
XLogP6.96
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine
CID 10386178
N-[1-(benzotriazol-1-yl)ethyl]-N-dodecyldodecan-1-amine
CID 67608822
1-(1-chlorododecyl)benzotriazole
CID 4561404
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
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
1-(benzotriazol-1-yl)-2,2-bis(butylsulfanyl)butan-1-amine
CID 21282367

Frequently Asked Questions

What is the IUPAC name of N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine?
The IUPAC name of N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine (CID 10411357) is N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine.
What is the SMILES notation for N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine?
The canonical SMILES for N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine is CCCCCCCCN(C(c1c[nH]c2ccccc12)n1nnc2ccccc21)[Si](C)(C)C.
What is the InChIKey of N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine?
The InChIKey is UMRACMSFUIBFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5Si/c1-5-6-7-8-9-14-19-30(32(2,3)4)26(22-20-27-23-16-11-10-15-21(22)23)31-25-18-13-12-17-24(25)28-29-31/h10-13,15-18,20,26-27H,5-9,14,19H2,1-4H3.
What are the key properties of N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine?
N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine has a molecular weight of 447.70 g/mol, XLogP of 6.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzotriazol-1-yl(1H-indol-3-yl)methyl]-N-trimethylsilyloctan-1-amine is sourced from PubChem (CID 10411357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).