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

C28H37NO2Si — CID 10343599

IUPACN-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
SMILESCCN(CC#CC#CC(C)(C)OC)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
InChIInChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
InChIKeyQOHZDEJDJNDBJB-UHFFFAOYSA-N
MW447.70 g/mol
LogP4.78
Rot. Bonds9

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

N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine (PubChem CID 10343599) has the molecular formula C28H37NO2Si and a molecular weight of 447.70 g/mol. Its IUPAC name is N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine.

Molecular Properties

Compound NameN-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
PubChem CID10343599
Molecular FormulaC28H37NO2Si
Molecular Weight447.70 g/mol
Exact Mass447.26
IUPAC NameN-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
SMILESCCN(CC#CC#CC(C)(C)OC)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
InChIInChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
InChIKeyQOHZDEJDJNDBJB-UHFFFAOYSA-N
XLogP4.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.70
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-6-methylhepta-2,4-diyn-1-amine?
The IUPAC name of N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine (CID 10343599) is N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine.
What is the SMILES notation for N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine?
The canonical SMILES for N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine is CCN(CC#CC#CC(C)(C)OC)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1.
What is the InChIKey of N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine?
The InChIKey is QOHZDEJDJNDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(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-methoxy-6-methylhepta-2,4-diyn-1-amine?
N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine has a molecular weight of 447.70 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[dimethyl-(2-methylphenyl)silyl]methoxy]phenyl]methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine is sourced from PubChem (CID 10343599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).