(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine

C16H37NSi2 — CID 15366790

IUPAC(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine
SMILESCCCCC(CC)C/C=N/C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H37NSi2/c1-9-11-12-15(10-2)13-14-17-16(18(3,4)5)19(6,7)8/h14-16H,9-13H2,1-8H3/b17-14+
InChIKeySJCUKXCEHRBBDV-SAPNQHFASA-N
MW299.65 g/mol
LogP5.79
Rot. Bonds9

About (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine

(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine (PubChem CID 15366790) has the molecular formula C16H37NSi2 and a molecular weight of 299.65 g/mol. Its IUPAC name is (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine.

Molecular Properties

Compound Name(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine
PubChem CID15366790
Molecular FormulaC16H37NSi2
Molecular Weight299.65 g/mol
Exact Mass299.25
IUPAC Name(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine
SMILESCCCCC(CC)C/C=N/C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C16H37NSi2/c1-9-11-12-15(10-2)13-14-17-16(18(3,4)5)19(6,7)8/h14-16H,9-13H2,1-8H3/b17-14+
InChIKeySJCUKXCEHRBBDV-SAPNQHFASA-N
XLogP5.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-ethyloct-1-ene
CID 129373406
8-ethyldodec-5-ene
CID 173018114
3-ethyl-N-methylhexan-1-imine
CID 142964967
[(2R)-2-ethylhexyl]-tris[(2S)-2-ethylhexyl]silane
CID 99771332
N-(4-ethyloctylidene)hydroxylamine
CID 174966103
5-ethylnonane;5-propylnonane
CID 157441807
2-(2-ethylhexyl)oxetane
CID 158420180
5-butylnon-2-ene
CID 175055679
azane;5-butyldecane
CID 118324151
(5S)-3,5-diethylnonane;methane
CID 159387669
(2S)-2-ethylhexan-1-amine
CID 6999997
dichloro-bis[(2R)-2-ethylhexyl]silane
CID 99738317

Frequently Asked Questions

What is the IUPAC name of (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine?
The IUPAC name of (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine (CID 15366790) is (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine.
What is the SMILES notation for (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine?
The canonical SMILES for (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine is CCCCC(CC)C/C=N/C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine?
The InChIKey is SJCUKXCEHRBBDV-SAPNQHFASA-N. The full InChI is InChI=1S/C16H37NSi2/c1-9-11-12-15(10-2)13-14-17-16(18(3,4)5)19(6,7)8/h14-16H,9-13H2,1-8H3/b17-14+.
What are the key properties of (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine?
(E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine has a molecular weight of 299.65 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[bis(trimethylsilyl)methyl]-3-ethylheptan-1-imine is sourced from PubChem (CID 15366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).