(E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine

C12H27NOSi — CID 169082211

IUPAC(E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine
SMILESCOC(C)(C)CC(N)C/C=C/[Si](C)(C)C
InChIInChI=1S/C12H27NOSi/c1-12(2,14-3)10-11(13)8-7-9-15(4,5)6/h7,9,11H,8,10,13H2,1-6H3/b9-7+
InChIKeyBYSWTOKDIBUFDP-VQHVLOKHSA-N
MW229.44 g/mol
LogP2.95
Rot. Bonds6

About (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine

(E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine (PubChem CID 169082211) has the molecular formula C12H27NOSi and a molecular weight of 229.44 g/mol. Its IUPAC name is (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine.

Molecular Properties

Compound Name(E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine
PubChem CID169082211
Molecular FormulaC12H27NOSi
Molecular Weight229.44 g/mol
Exact Mass229.19
IUPAC Name(E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine
SMILESCOC(C)(C)CC(N)C/C=C/[Si](C)(C)C
InChIInChI=1S/C12H27NOSi/c1-12(2,14-3)10-11(13)8-7-9-15(4,5)6/h7,9,11H,8,10,13H2,1-6H3/b9-7+
InChIKeyBYSWTOKDIBUFDP-VQHVLOKHSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-2-methylhept-6-en-3-amine
CID 79197423
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine?
The IUPAC name of (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine (CID 169082211) is (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine.
What is the SMILES notation for (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine?
The canonical SMILES for (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine is COC(C)(C)CC(N)C/C=C/[Si](C)(C)C.
What is the InChIKey of (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine?
The InChIKey is BYSWTOKDIBUFDP-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H27NOSi/c1-12(2,14-3)10-11(13)8-7-9-15(4,5)6/h7,9,11H,8,10,13H2,1-6H3/b9-7+.
What are the key properties of (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine?
(E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine has a molecular weight of 229.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-6-methyl-1-trimethylsilylhept-1-en-4-amine is sourced from PubChem (CID 169082211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).