tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)

C28H70N2 — CID 159299187

IUPACtetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N.CC(C)(C)N
InChIInChI=1S/4C5H12.2C4H11N/c4*1-5(2,3)4;2*1-4(2,3)5/h4*1-4H3;2*5H2,1-3H3
InChIKeyLBCNLVWAOKEGSE-UHFFFAOYSA-N
MW434.88 g/mol
LogP9.70
Rot. Bonds

About tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)

tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine) (PubChem CID 159299187) has the molecular formula C28H70N2 and a molecular weight of 434.88 g/mol. Its IUPAC name is tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine).

Molecular Properties

Compound Nametetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
PubChem CID159299187
Molecular FormulaC28H70N2
Molecular Weight434.88 g/mol
Exact Mass434.55
IUPAC Nametetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N.CC(C)(C)N
InChIInChI=1S/4C5H12.2C4H11N/c4*1-5(2,3)4;2*1-4(2,3)5/h4*1-4H3;2*5H2,1-3H3
InChIKeyLBCNLVWAOKEGSE-UHFFFAOYSA-N
XLogP9.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 175795972
CID 175795972
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
ethane;2-methylpropan-2-amine
CID 142052554
magnesium;2-methylpropan-2-amine;dibromide
CID 175491555
methanethione;2-methylpropan-2-amine
CID 167458239
bis(2-methylpropan-2-amine);propane
CID 160822364
cyclononane;methane;2-methylpropan-2-amine
CID 158652044
2-methylpropan-2-amine;trifluoroborane
CID 175302179
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
2,2-dimethylpropane;methanamine;molecular hydrogen
CID 142152372
propane-1,1,1,2,2-pentamine
CID 21225260

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)?
The IUPAC name of tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine) (CID 159299187) is tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine).
What is the SMILES notation for tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)?
The canonical SMILES for tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N.CC(C)(C)N.
What is the InChIKey of tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)?
The InChIKey is LBCNLVWAOKEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H12.2C4H11N/c4*1-5(2,3)4;2*1-4(2,3)5/h4*1-4H3;2*5H2,1-3H3.
What are the key properties of tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)?
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine) has a molecular weight of 434.88 g/mol, XLogP of 9.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine) is sourced from PubChem (CID 159299187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).