N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine

C28H37NOSi — CID 10094306

IUPACN-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine
SMILESCCN(CC#CC#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
InChIInChI=1S/C28H37NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
InChIKeyUSOJQQZZCHMWNX-UHFFFAOYSA-N
MW431.70 g/mol
LogP5.40
Rot. Bonds8

About N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine

N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine (PubChem CID 10094306) has the molecular formula C28H37NOSi and a molecular weight of 431.70 g/mol. Its IUPAC name is N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine.

Molecular Properties

Compound NameN-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine
PubChem CID10094306
Molecular FormulaC28H37NOSi
Molecular Weight431.70 g/mol
Exact Mass431.26
IUPAC NameN-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine
SMILESCCN(CC#CC#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
InChIInChI=1S/C28H37NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
InChIKeyUSOJQQZZCHMWNX-UHFFFAOYSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.70
LogP ≤ 55.40
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 N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine?
The IUPAC name of N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine (CID 10094306) is N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine.
What is the SMILES notation for N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine?
The canonical SMILES for N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine is CCN(CC#CC#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1.
What is the InChIKey of N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine?
The InChIKey is USOJQQZZCHMWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3.
What are the key properties of N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine?
N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine has a molecular weight of 431.70 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6,6-dimethylhepta-2,4-diyn-1-amine is sourced from PubChem (CID 10094306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).