N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine

C12H30N2O3Si — CID 54312620

IUPACN',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine
SMILESCO[Si](OC)(OC)C(C)(C)C(CN)CCN(C)C
InChIInChI=1S/C12H30N2O3Si/c1-12(2,18(15-5,16-6)17-7)11(10-13)8-9-14(3)4/h11H,8-10,13H2,1-7H3
InChIKeySLYVATRCYNECEK-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.17
Rot. Bonds9

About N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine

N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine (PubChem CID 54312620) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine
PubChem CID54312620
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC NameN',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine
SMILESCO[Si](OC)(OC)C(C)(C)C(CN)CCN(C)C
InChIInChI=1S/C12H30N2O3Si/c1-12(2,18(15-5,16-6)17-7)11(10-13)8-9-14(3)4/h11H,8-10,13H2,1-7H3
InChIKeySLYVATRCYNECEK-UHFFFAOYSA-N
XLogP1.17
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine (CID 54312620) is N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine is CO[Si](OC)(OC)C(C)(C)C(CN)CCN(C)C.
What is the InChIKey of N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine?
The InChIKey is SLYVATRCYNECEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-12(2,18(15-5,16-6)17-7)11(10-13)8-9-14(3)4/h11H,8-10,13H2,1-7H3.
What are the key properties of N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine?
N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(2-trimethoxysilylpropan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 54312620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).