N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine

C19H39NSi — CID 87397255

IUPACN-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
SMILESC=C[Si](C)(C)CC/C=N/CCCCCCCCCCCC
InChIInChI=1S/C19H39NSi/c1-5-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(3,4)6-2/h6,18H,2,5,7-17,19H2,1,3-4H3/b20-18+
InChIKeyXOANYKXQXSTLGU-CZIZESTLSA-N
MW309.61 g/mol
LogP6.80
Rot. Bonds15

About N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine

N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine (PubChem CID 87397255) has the molecular formula C19H39NSi and a molecular weight of 309.61 g/mol. Its IUPAC name is N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine.

Molecular Properties

Compound NameN-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
PubChem CID87397255
Molecular FormulaC19H39NSi
Molecular Weight309.61 g/mol
Exact Mass309.29
IUPAC NameN-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
SMILESC=C[Si](C)(C)CC/C=N/CCCCCCCCCCCC
InChIInChI=1S/C19H39NSi/c1-5-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(3,4)6-2/h6,18H,2,5,7-17,19H2,1,3-4H3/b20-18+
InChIKeyXOANYKXQXSTLGU-CZIZESTLSA-N
XLogP6.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.61
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[dimethyl(prop-1-enyl)silyl]-N-hexylpropan-1-imine
CID 173072145
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N-octylprop-2-en-1-imine
CID 174329856
3-[dimethyl(prop-1-en-2-yl)silyl]-N-[7-[dimethyl(prop-1-en-2-yl)silyl]heptyl]propan-1-imine
CID 140568965
N-(3-trimethoxysilylpropyl)hexan-1-imine
CID 87448623
3-heptyliminopropyl propanoate
CID 175487113
5-(butylideneamino)pentan-1-amine
CID 58308982
3-octadec-9-enylimino-N-propylpropan-1-amine
CID 173366405

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine?
The IUPAC name of N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine (CID 87397255) is N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine.
What is the SMILES notation for N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine?
The canonical SMILES for N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine is C=C[Si](C)(C)CC/C=N/CCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine?
The InChIKey is XOANYKXQXSTLGU-CZIZESTLSA-N. The full InChI is InChI=1S/C19H39NSi/c1-5-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(3,4)6-2/h6,18H,2,5,7-17,19H2,1,3-4H3/b20-18+.
What are the key properties of N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine?
N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine has a molecular weight of 309.61 g/mol, XLogP of 6.80, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine is sourced from PubChem (CID 87397255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).