(2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine

C8H22N2O3Si — CID 22790454

IUPAC(2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine
SMILESCO[Si](C[C@@H](CN)CCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9/h8H,4-7,9-10H2,1-3H3/t8-/m1/s1
InChIKeyHEXHLHNCJVXPNU-MRVPVSSYSA-N
MW222.36 g/mol
LogP-0.21
Rot. Bonds8

About (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine

(2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine (PubChem CID 22790454) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Name(2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine
PubChem CID22790454
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC Name(2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine
SMILESCO[Si](C[C@@H](CN)CCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9/h8H,4-7,9-10H2,1-3H3/t8-/m1/s1
InChIKeyHEXHLHNCJVXPNU-MRVPVSSYSA-N
XLogP-0.21
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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 (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine?
The IUPAC name of (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine (CID 22790454) is (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine.
What is the SMILES notation for (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine?
The canonical SMILES for (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine is CO[Si](C[C@@H](CN)CCN)(OC)OC.
What is the InChIKey of (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine?
The InChIKey is HEXHLHNCJVXPNU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9/h8H,4-7,9-10H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine?
(2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine has a molecular weight of 222.36 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(trimethoxysilylmethyl)butane-1,4-diamine is sourced from PubChem (CID 22790454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).