(4-triethoxysilylcyclohexyl)methanediamine

C13H30N2O3Si — CID 172757315

IUPAC(4-triethoxysilylcyclohexyl)methanediamine
SMILESCCO[Si](OCC)(OCC)C1CCC(C(N)N)CC1
InChIInChI=1S/C13H30N2O3Si/c1-4-16-19(17-5-2,18-6-3)12-9-7-11(8-10-12)13(14)15/h11-13H,4-10,14-15H2,1-3H3
InChIKeyLEXIDCVBDUPFCM-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.84
Rot. Bonds8

About (4-triethoxysilylcyclohexyl)methanediamine

(4-triethoxysilylcyclohexyl)methanediamine (PubChem CID 172757315) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (4-triethoxysilylcyclohexyl)methanediamine.

Molecular Properties

Compound Name(4-triethoxysilylcyclohexyl)methanediamine
PubChem CID172757315
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name(4-triethoxysilylcyclohexyl)methanediamine
SMILESCCO[Si](OCC)(OCC)C1CCC(C(N)N)CC1
InChIInChI=1S/C13H30N2O3Si/c1-4-16-19(17-5-2,18-6-3)12-9-7-11(8-10-12)13(14)15/h11-13H,4-10,14-15H2,1-3H3
InChIKeyLEXIDCVBDUPFCM-UHFFFAOYSA-N
XLogP1.84
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (4-triethoxysilylcyclohexyl)methanediamine?
The IUPAC name of (4-triethoxysilylcyclohexyl)methanediamine (CID 172757315) is (4-triethoxysilylcyclohexyl)methanediamine.
What is the SMILES notation for (4-triethoxysilylcyclohexyl)methanediamine?
The canonical SMILES for (4-triethoxysilylcyclohexyl)methanediamine is CCO[Si](OCC)(OCC)C1CCC(C(N)N)CC1.
What is the InChIKey of (4-triethoxysilylcyclohexyl)methanediamine?
The InChIKey is LEXIDCVBDUPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-4-16-19(17-5-2,18-6-3)12-9-7-11(8-10-12)13(14)15/h11-13H,4-10,14-15H2,1-3H3.
What are the key properties of (4-triethoxysilylcyclohexyl)methanediamine?
(4-triethoxysilylcyclohexyl)methanediamine has a molecular weight of 290.48 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-triethoxysilylcyclohexyl)methanediamine is sourced from PubChem (CID 172757315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).