(E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine

C28H39NOSi — CID 10003000

IUPAC(E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
SMILESCCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C)cc2)c1
InChIInChI=1S/C28H39NOSi/c1-8-29(20-11-9-10-19-28(3,4)5)22-25-13-12-14-26(21-25)30-23-31(6,7)27-17-15-24(2)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+
InChIKeyBNDAMZYEXRVHDP-PKNBQFBNSA-N
MW433.71 g/mol
LogP5.96
Rot. Bonds9

About (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine

(E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine (PubChem CID 10003000) has the molecular formula C28H39NOSi and a molecular weight of 433.71 g/mol. Its IUPAC name is (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
PubChem CID10003000
Molecular FormulaC28H39NOSi
Molecular Weight433.71 g/mol
Exact Mass433.28
IUPAC Name(E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
SMILESCCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C)cc2)c1
InChIInChI=1S/C28H39NOSi/c1-8-29(20-11-9-10-19-28(3,4)5)22-25-13-12-14-26(21-25)30-23-31(6,7)27-17-15-24(2)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+
InChIKeyBNDAMZYEXRVHDP-PKNBQFBNSA-N
XLogP5.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.71
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
The IUPAC name of (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine (CID 10003000) is (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
The canonical SMILES for (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine is CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C)cc2)c1.
What is the InChIKey of (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
The InChIKey is BNDAMZYEXRVHDP-PKNBQFBNSA-N. The full InChI is InChI=1S/C28H39NOSi/c1-8-29(20-11-9-10-19-28(3,4)5)22-25-13-12-14-26(21-25)30-23-31(6,7)27-17-15-24(2)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+.
What are the key properties of (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine?
(E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine has a molecular weight of 433.71 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-[[dimethyl-(4-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine is sourced from PubChem (CID 10003000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).