[5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine

C17H35NOSi — CID 15737794

IUPAC[5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine
SMILESCC1CC=C(O[Si](C(C)C)(C(C)C)C(C)C)C(CN)C1
InChIInChI=1S/C17H35NOSi/c1-12(2)20(13(3)4,14(5)6)19-17-9-8-15(7)10-16(17)11-18/h9,12-16H,8,10-11,18H2,1-7H3
InChIKeyRROLWBBFJDTRDN-UHFFFAOYSA-N
MW297.56 g/mol
LogP5.07
Rot. Bonds6

About [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine

[5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine (PubChem CID 15737794) has the molecular formula C17H35NOSi and a molecular weight of 297.56 g/mol. Its IUPAC name is [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine
PubChem CID15737794
Molecular FormulaC17H35NOSi
Molecular Weight297.56 g/mol
Exact Mass297.25
IUPAC Name[5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine
SMILESCC1CC=C(O[Si](C(C)C)(C(C)C)C(C)C)C(CN)C1
InChIInChI=1S/C17H35NOSi/c1-12(2)20(13(3)4,14(5)6)19-17-9-8-15(7)10-16(17)11-18/h9,12-16H,8,10-11,18H2,1-7H3
InChIKeyRROLWBBFJDTRDN-UHFFFAOYSA-N
XLogP5.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine?
The IUPAC name of [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine (CID 15737794) is [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine?
The canonical SMILES for [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine is CC1CC=C(O[Si](C(C)C)(C(C)C)C(C)C)C(CN)C1.
What is the InChIKey of [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine?
The InChIKey is RROLWBBFJDTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOSi/c1-12(2)20(13(3)4,14(5)6)19-17-9-8-15(7)10-16(17)11-18/h9,12-16H,8,10-11,18H2,1-7H3.
What are the key properties of [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine?
[5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine has a molecular weight of 297.56 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 15737794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).