2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine

C18H42N2OSi — CID 140647706

IUPAC2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine
SMILESCCCCCC[Si](CC)(CC(C)(CN(C)C)CN(C)C)OC
InChIInChI=1S/C18H42N2OSi/c1-9-11-12-13-14-22(10-2,21-8)17-18(3,15-19(4)5)16-20(6)7/h9-17H2,1-8H3
InChIKeyCBDUGKIMLXICBB-UHFFFAOYSA-N
MW330.63 g/mol
LogP4.31
Rot. Bonds13

About 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine

2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine (PubChem CID 140647706) has the molecular formula C18H42N2OSi and a molecular weight of 330.63 g/mol. Its IUPAC name is 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine
PubChem CID140647706
Molecular FormulaC18H42N2OSi
Molecular Weight330.63 g/mol
Exact Mass330.31
IUPAC Name2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine
SMILESCCCCCC[Si](CC)(CC(C)(CN(C)C)CN(C)C)OC
InChIInChI=1S/C18H42N2OSi/c1-9-11-12-13-14-22(10-2,21-8)17-18(3,15-19(4)5)16-20(6)7/h9-17H2,1-8H3
InChIKeyCBDUGKIMLXICBB-UHFFFAOYSA-N
XLogP4.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl-hexyl-methoxysilane
CID 59112330
2-[[diethoxy(hexyl)silyl]methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine
CID 140647315
2-[[diethyl(methoxy)silyl]methyl]-2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 140647573
tert-butyl-dimethoxy-tridecylsilane
CID 18990666
hexacosyl(trimethoxy)silane
CID 150262252
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
2-[[diethoxy(hexyl)silyl]methyl]-2-ethyl-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 140647272
N'-[3-[diethyl(methoxy)silyl]propyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 140647262
butyl-methoxy-dipropylsilane
CID 22228688

Frequently Asked Questions

What is the IUPAC name of 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine?
The IUPAC name of 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine (CID 140647706) is 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine.
What is the SMILES notation for 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine?
The canonical SMILES for 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine is CCCCCC[Si](CC)(CC(C)(CN(C)C)CN(C)C)OC.
What is the InChIKey of 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine?
The InChIKey is CBDUGKIMLXICBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N2OSi/c1-9-11-12-13-14-22(10-2,21-8)17-18(3,15-19(4)5)16-20(6)7/h9-17H2,1-8H3.
What are the key properties of 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine?
2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine has a molecular weight of 330.63 g/mol, XLogP of 4.31, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethyl-hexyl-methoxysilyl)methyl]-N,N,N',N',2-pentamethylpropane-1,3-diamine is sourced from PubChem (CID 140647706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).