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

C13H22BrNSn — CID 54725613

IUPACN,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide
SMILESCN(C)Cc1[c-]cccc1.[Br-].[CH2-]C.[CH2-]C.[Sn+4]
InChIInChI=1S/C9H12N.2C2H5.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;2*1-2;;/h3-6H,8H2,1-2H3;2*1H2,2H3;1H;/q3*-1;;+4/p-1
InChIKeyVJEZDGAAEVPSAH-UHFFFAOYSA-M
MW390.94 g/mol
LogP-0.15
Rot. Bonds2

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

N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide (PubChem CID 54725613) has the molecular formula C13H22BrNSn and a molecular weight of 390.94 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide
PubChem CID54725613
Molecular FormulaC13H22BrNSn
Molecular Weight390.94 g/mol
Exact Mass391.00
IUPAC NameN,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide
SMILESCN(C)Cc1[c-]cccc1.[Br-].[CH2-]C.[CH2-]C.[Sn+4]
InChIInChI=1S/C9H12N.2C2H5.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;2*1-2;;/h3-6H,8H2,1-2H3;2*1H2,2H3;1H;/q3*-1;;+4/p-1
InChIKeyVJEZDGAAEVPSAH-UHFFFAOYSA-M
XLogP-0.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 5-0.15
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide (CID 54725613) is N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide is CN(C)Cc1[c-]cccc1.[Br-].[CH2-]C.[CH2-]C.[Sn+4].
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide?
The InChIKey is VJEZDGAAEVPSAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N.2C2H5.BrH.Sn/c1-10(2)8-9-6-4-3-5-7-9;2*1-2;;/h3-6H,8H2,1-2H3;2*1H2,2H3;1H;/q3*-1;;+4/p-1.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide?
N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide has a molecular weight of 390.94 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;ethane;tin(4+);bromide is sourced from PubChem (CID 54725613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).