ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane

C23H43As2N — CID 102189383

IUPACditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane
SMILESCC(C)(C)[As](Cc1cccc(C[As](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C23H43As2N/c1-20(2,3)24(21(4,5)6)16-18-14-13-15-19(26-18)17-25(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3
InChIKeyWUKLPPUDWMEKGR-UHFFFAOYSA-N
MW483.45 g/mol
LogP7.43
Rot. Bonds4

About ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane

ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane (PubChem CID 102189383) has the molecular formula C23H43As2N and a molecular weight of 483.45 g/mol. Its IUPAC name is ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane.

Molecular Properties

Compound Nameditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane
PubChem CID102189383
Molecular FormulaC23H43As2N
Molecular Weight483.45 g/mol
Exact Mass483.18
IUPAC Nameditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane
SMILESCC(C)(C)[As](Cc1cccc(C[As](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C23H43As2N/c1-20(2,3)24(21(4,5)6)16-18-14-13-15-19(26-18)17-25(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3
InChIKeyWUKLPPUDWMEKGR-UHFFFAOYSA-N
XLogP7.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6-butyl-2-pyridinyl)methanamine
CID 67813294
2,6-dipentylpyridine
CID 58097448
ditert-butyl-[[6-[di(propan-2-yl)phosphanylmethyl]-2-pyridinyl]methyl]phosphane
CID 102310635
2,6-didodecylpyridine
CID 90943274
2-(2,2-dimethylpropyl)-6-(2-methylpropyl)pyridine
CID 138721694
2-butyl-6-(6-tert-butyl-2-pyridinyl)pyridine
CID 145133431
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
2-methyl-N-[[6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-2-pyridinyl]methyl]-2-methylsulfanylpropan-1-amine
CID 20679715
trimethyl-[[6-[[6-(trimethylsilylmethyl)-2-pyridinyl]methyl]-2-pyridinyl]methyl]silane
CID 139805764
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
(6-ethyl-2-pyridinyl)methanol
CID 10749240
2-[6-[2-(dimethylamino)ethyl]-2-pyridinyl]-N,N-dimethylethanamine
CID 23545476

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane?
The IUPAC name of ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane (CID 102189383) is ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane.
What is the SMILES notation for ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane?
The canonical SMILES for ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane is CC(C)(C)[As](Cc1cccc(C[As](C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane?
The InChIKey is WUKLPPUDWMEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43As2N/c1-20(2,3)24(21(4,5)6)16-18-14-13-15-19(26-18)17-25(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3.
What are the key properties of ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane?
ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane has a molecular weight of 483.45 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[6-(ditert-butylarsanylmethyl)-2-pyridinyl]methyl]arsane is sourced from PubChem (CID 102189383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).