CID 159585416

C10H32B2N4 — CID 159585416

IUPAC—
SMILESC=C=NC.CN.CN(C)C.CN(C)C.[B].[B].[H][2H].[H][2H]
InChIInChI=1S/2C3H9N.C3H5N.CH5N.2B.2H2/c2*1-4(2)3;1-3-4-2;1-2;;;;/h2*1-3H3;1H2,2H3;2H2,1H3;;;2*1H/i;;;;;;2*1+1
InChIKeyGFBVHXCWAFLWEL-PGHZMFPYSA-N
MW232.03 g/mol
LogP0.13
Rot. Bonds

About CID 159585416

CID 159585416 (PubChem CID 159585416) has the molecular formula C10H32B2N4 and a molecular weight of 232.03 g/mol.

Molecular Properties

Compound NameCID 159585416
PubChem CID159585416
Molecular FormulaC10H32B2N4
Molecular Weight232.03 g/mol
Exact Mass232.29
IUPAC Name—
SMILESC=C=NC.CN.CN(C)C.CN(C)C.[B].[B].[H][2H].[H][2H]
InChIInChI=1S/2C3H9N.C3H5N.CH5N.2B.2H2/c2*1-4(2)3;1-3-4-2;1-2;;;;/h2*1-3H3;1H2,2H3;2H2,1H3;;;2*1H/i;;;;;;2*1+1
InChIKeyGFBVHXCWAFLWEL-PGHZMFPYSA-N
XLogP0.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;ethane
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ethane;methanamine
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azane;N,N-dimethylmethanamine;methanamine;N-methylmethanamine
CID 174795186
N,N-dimethylmethanamine;hydrazine;hydroiodide
CID 173045111
N,N-dimethylmethanamine;ethane;N,N,N'-trimethylmethanimidamide
CID 176943754
ethane;ethene;methanamine;molecular hydrogen;propane
CID 144532029
N,N-dimethylethanamine;ethane;methanamine
CID 145153553
CID 162284017
CID 162284017
potassium;deuterium monohydride;ethane;methanamine;methyl N'-methylcarbamimidothioate;thiocyanate
CID 159293248
CID 174722284
CID 174722284

Frequently Asked Questions

What is the IUPAC name of CID 159585416?
The IUPAC name of CID 159585416 (CID 159585416) is not available.
What is the SMILES notation for CID 159585416?
The canonical SMILES for CID 159585416 is C=C=NC.CN.CN(C)C.CN(C)C.[B].[B].[H][2H].[H][2H].
What is the InChIKey of CID 159585416?
The InChIKey is GFBVHXCWAFLWEL-PGHZMFPYSA-N. The full InChI is InChI=1S/2C3H9N.C3H5N.CH5N.2B.2H2/c2*1-4(2)3;1-3-4-2;1-2;;;;/h2*1-3H3;1H2,2H3;2H2,1H3;;;2*1H/i;;;;;;2*1+1.
What are the key properties of CID 159585416?
CID 159585416 has a molecular weight of 232.03 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159585416 is sourced from PubChem (CID 159585416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).