3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine

C13H27NOSi — CID 154388861

IUPAC3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine
SMILESCC(C)(C)[SiH2]OC(C)(C)C1=CC(N)CCC1
InChIInChI=1S/C13H27NOSi/c1-12(2,3)16-15-13(4,5)10-7-6-8-11(14)9-10/h9,11H,6-8,14,16H2,1-5H3
InChIKeyGRQUFCKDJZWXEU-UHFFFAOYSA-N
MW241.45 g/mol
LogP2.52
Rot. Bonds3

About 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine

3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine (PubChem CID 154388861) has the molecular formula C13H27NOSi and a molecular weight of 241.45 g/mol. Its IUPAC name is 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine
PubChem CID154388861
Molecular FormulaC13H27NOSi
Molecular Weight241.45 g/mol
Exact Mass241.19
IUPAC Name3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine
SMILESCC(C)(C)[SiH2]OC(C)(C)C1=CC(N)CCC1
InChIInChI=1S/C13H27NOSi/c1-12(2,3)16-15-13(4,5)10-7-6-8-11(14)9-10/h9,11H,6-8,14,16H2,1-5H3
InChIKeyGRQUFCKDJZWXEU-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine (CID 154388861) is 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine is CC(C)(C)[SiH2]OC(C)(C)C1=CC(N)CCC1.
What is the InChIKey of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine?
The InChIKey is GRQUFCKDJZWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOSi/c1-12(2,3)16-15-13(4,5)10-7-6-8-11(14)9-10/h9,11H,6-8,14,16H2,1-5H3.
What are the key properties of 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine?
3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine has a molecular weight of 241.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 154388861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).