N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine

C12H31N3Si — CID 173002149

IUPACN"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine
SMILESCC(C)NC(NC(C)C)N([SiH3])CC(C)(C)C
InChIInChI=1S/C12H31N3Si/c1-9(2)13-11(14-10(3)4)15(16)8-12(5,6)7/h9-11,13-14H,8H2,1-7,16H3
InChIKeyWVRKFYKUSQJJMH-UHFFFAOYSA-N
MW245.49 g/mol
LogP0.89
Rot. Bonds6

About N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine

N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine (PubChem CID 173002149) has the molecular formula C12H31N3Si and a molecular weight of 245.49 g/mol. Its IUPAC name is N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine.

Molecular Properties

Compound NameN"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine
PubChem CID173002149
Molecular FormulaC12H31N3Si
Molecular Weight245.49 g/mol
Exact Mass245.23
IUPAC NameN"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine
SMILESCC(C)NC(NC(C)C)N([SiH3])CC(C)(C)C
InChIInChI=1S/C12H31N3Si/c1-9(2)13-11(14-10(3)4)15(16)8-12(5,6)7/h9-11,13-14H,8H2,1-7,16H3
InChIKeyWVRKFYKUSQJJMH-UHFFFAOYSA-N
XLogP0.89
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.49
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine?
The IUPAC name of N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine (CID 173002149) is N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine.
What is the SMILES notation for N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine?
The canonical SMILES for N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine is CC(C)NC(NC(C)C)N([SiH3])CC(C)(C)C.
What is the InChIKey of N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine?
The InChIKey is WVRKFYKUSQJJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3Si/c1-9(2)13-11(14-10(3)4)15(16)8-12(5,6)7/h9-11,13-14H,8H2,1-7,16H3.
What are the key properties of N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine?
N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine has a molecular weight of 245.49 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(2,2-dimethylpropyl)-N,N'-di(propan-2-yl)-N"-silylmethanetriamine is sourced from PubChem (CID 173002149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).