N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine

C8H22N2Si — CID 123141814

IUPACN'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine
SMILESCCNCN[SiH](C)C(C)CC
InChIInChI=1S/C8H22N2Si/c1-5-8(3)11(4)10-7-9-6-2/h8-11H,5-7H2,1-4H3
InChIKeyKPYHVROSZIWFMM-UHFFFAOYSA-N
MW174.36 g/mol
LogP1.30
Rot. Bonds6

About N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine

N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine (PubChem CID 123141814) has the molecular formula C8H22N2Si and a molecular weight of 174.36 g/mol. Its IUPAC name is N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine.

Molecular Properties

Compound NameN'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine
PubChem CID123141814
Molecular FormulaC8H22N2Si
Molecular Weight174.36 g/mol
Exact Mass174.16
IUPAC NameN'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine
SMILESCCNCN[SiH](C)C(C)CC
InChIInChI=1S/C8H22N2Si/c1-5-8(3)11(4)10-7-9-6-2/h8-11H,5-7H2,1-4H3
InChIKeyKPYHVROSZIWFMM-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine?
The IUPAC name of N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine (CID 123141814) is N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine.
What is the SMILES notation for N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine?
The canonical SMILES for N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine is CCNCN[SiH](C)C(C)CC.
What is the InChIKey of N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine?
The InChIKey is KPYHVROSZIWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2Si/c1-5-8(3)11(4)10-7-9-6-2/h8-11H,5-7H2,1-4H3.
What are the key properties of N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine?
N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine has a molecular weight of 174.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[butan-2-yl(methyl)silyl]-N-ethylmethanediamine is sourced from PubChem (CID 123141814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).