benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide

C16H20BrNSn — CID 54725612

IUPACbenzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
SMILESCN(C)Cc1[c-]cccc1.[Br-].[CH3-].[Sn+4].[c-]1ccccc1
InChIInChI=1S/C9H12N.C6H5.CH3.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-6-5-3-1;;;/h3-6H,8H2,1-2H3;1-5H;1H3;1H;/q3*-1;;+4/p-1
InChIKeyFNVFYCQXQCHPOA-UHFFFAOYSA-M
MW424.96 g/mol
LogP0.11
Rot. Bonds2

About benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide

benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide (PubChem CID 54725612) has the molecular formula C16H20BrNSn and a molecular weight of 424.96 g/mol. Its IUPAC name is benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide.

Molecular Properties

Compound Namebenzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
PubChem CID54725612
Molecular FormulaC16H20BrNSn
Molecular Weight424.96 g/mol
Exact Mass424.98
IUPAC Namebenzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
SMILESCN(C)Cc1[c-]cccc1.[Br-].[CH3-].[Sn+4].[c-]1ccccc1
InChIInChI=1S/C9H12N.C6H5.CH3.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-6-5-3-1;;;/h3-6H,8H2,1-2H3;1-5H;1H3;1H;/q3*-1;;+4/p-1
InChIKeyFNVFYCQXQCHPOA-UHFFFAOYSA-M
XLogP0.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.96
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 21399667
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Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide?
The IUPAC name of benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide (CID 54725612) is benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide.
What is the SMILES notation for benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide?
The canonical SMILES for benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide is CN(C)Cc1[c-]cccc1.[Br-].[CH3-].[Sn+4].[c-]1ccccc1.
What is the InChIKey of benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide?
The InChIKey is FNVFYCQXQCHPOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N.C6H5.CH3.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-6-5-3-1;;;/h3-6H,8H2,1-2H3;1-5H;1H3;1H;/q3*-1;;+4/p-1.
What are the key properties of benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide?
benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide has a molecular weight of 424.96 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide is sourced from PubChem (CID 54725612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).