N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine

C18H29BiN2 — CID 138971986

IUPACN-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine
SMILESC[Bi](C)c1c(/C=N/C(C)(C)C)cccc1/C=N/C(C)(C)C
InChIInChI=1S/C16H23N2.2CH3.Bi/c1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;;;/h7-9,11-12H,1-6H3;2*1H3;/b17-11+,18-12+;;;
InChIKeyDPVGXYHASAKJMJ-MCRPVJKSSA-N
MW482.42 g/mol
LogP4.08
Rot. Bonds3

About N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine

N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine (PubChem CID 138971986) has the molecular formula C18H29BiN2 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine
PubChem CID138971986
Molecular FormulaC18H29BiN2
Molecular Weight482.42 g/mol
Exact Mass482.21
IUPAC NameN-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine
SMILESC[Bi](C)c1c(/C=N/C(C)(C)C)cccc1/C=N/C(C)(C)C
InChIInChI=1S/C16H23N2.2CH3.Bi/c1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;;;/h7-9,11-12H,1-6H3;2*1H3;/b17-11+,18-12+;;;
InChIKeyDPVGXYHASAKJMJ-MCRPVJKSSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine (CID 138971986) is N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine is C[Bi](C)c1c(/C=N/C(C)(C)C)cccc1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine?
The InChIKey is DPVGXYHASAKJMJ-MCRPVJKSSA-N. The full InChI is InChI=1S/C16H23N2.2CH3.Bi/c1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;;;/h7-9,11-12H,1-6H3;2*1H3;/b17-11+,18-12+;;;.
What are the key properties of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine?
N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine has a molecular weight of 482.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dimethylbismuthanylphenyl]methanimine is sourced from PubChem (CID 138971986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).