3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine

C29H63NO2Si — CID 87404887

IUPAC3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine
SMILESCCCCCCCCCCCCO[Si](C)(CC(C)CN)OCCCCCCCCCCCC
InChIInChI=1S/C29H63NO2Si/c1-5-7-9-11-13-15-17-19-21-23-25-31-33(4,28-29(3)27-30)32-26-24-22-20-18-16-14-12-10-8-6-2/h29H,5-28,30H2,1-4H3
InChIKeyPSOGTTFBZXLORU-UHFFFAOYSA-N
MW485.91 g/mol
LogP9.53
Rot. Bonds27

About 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine

3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine (PubChem CID 87404887) has the molecular formula C29H63NO2Si and a molecular weight of 485.91 g/mol. Its IUPAC name is 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine
PubChem CID87404887
Molecular FormulaC29H63NO2Si
Molecular Weight485.91 g/mol
Exact Mass485.46
IUPAC Name3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine
SMILESCCCCCCCCCCCCO[Si](C)(CC(C)CN)OCCCCCCCCCCCC
InChIInChI=1S/C29H63NO2Si/c1-5-7-9-11-13-15-17-19-21-23-25-31-33(4,28-29(3)27-30)32-26-24-22-20-18-16-14-12-10-8-6-2/h29H,5-28,30H2,1-4H3
InChIKeyPSOGTTFBZXLORU-UHFFFAOYSA-N
XLogP9.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.91
LogP ≤ 59.53
H-Bond Donors ≤ 51
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

2-methyl-3-trihexadecoxysilylpropan-1-amine
CID 87404816
(15-amino-14-methylpentadecyl) tritetradecyl silicate
CID 175996343
3-[dimethyl(tetradecoxy)silyl]-2-methylpropane-1-thiol
CID 22251042
3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine
CID 152765452
tris(2-methylpropyl)-octoxysilane
CID 612111
triheptoxy(methyl)silane
CID 525768
hexoxy-dimethyl-nonoxysilane
CID 91741085
tri(icosoxy)-methylsilane
CID 163923848
hexoxy-dimethyl-undecoxysilane
CID 91742305
dibutoxy-methyl-octylsilane
CID 54173263
3-(dodecoxy-hexadecoxy-tetradecoxysilyl)-2-methylpropane-1-thiol
CID 87098809
dimethyl-(2-methylbutoxy)-octadecoxysilane
CID 91744745

Frequently Asked Questions

What is the IUPAC name of 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine (CID 87404887) is 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine is CCCCCCCCCCCCO[Si](C)(CC(C)CN)OCCCCCCCCCCCC.
What is the InChIKey of 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine?
The InChIKey is PSOGTTFBZXLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63NO2Si/c1-5-7-9-11-13-15-17-19-21-23-25-31-33(4,28-29(3)27-30)32-26-24-22-20-18-16-14-12-10-8-6-2/h29H,5-28,30H2,1-4H3.
What are the key properties of 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine?
3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine has a molecular weight of 485.91 g/mol, XLogP of 9.53, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine is sourced from PubChem (CID 87404887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).