methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane

C20H39NSi — CID 140568893

IUPACmethyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane
SMILESC=C(C)C(/C1=N/CCCCCCCC1)[Si](C)(CCC)CCC
InChIInChI=1S/C20H39NSi/c1-6-16-22(5,17-7-2)20(18(3)4)19-14-12-10-8-9-11-13-15-21-19/h20H,3,6-17H2,1-2,4-5H3/b21-19+
InChIKeyBBPZCJLNJCTFOF-XUTLUUPISA-N
MW321.63 g/mol
LogP7.02
Rot. Bonds7

About methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane

methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane (PubChem CID 140568893) has the molecular formula C20H39NSi and a molecular weight of 321.63 g/mol. Its IUPAC name is methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane.

Molecular Properties

Compound Namemethyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane
PubChem CID140568893
Molecular FormulaC20H39NSi
Molecular Weight321.63 g/mol
Exact Mass321.29
IUPAC Namemethyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane
SMILESC=C(C)C(/C1=N/CCCCCCCC1)[Si](C)(CCC)CCC
InChIInChI=1S/C20H39NSi/c1-6-16-22(5,17-7-2)20(18(3)4)19-14-12-10-8-9-11-13-15-21-19/h20H,3,6-17H2,1-2,4-5H3/b21-19+
InChIKeyBBPZCJLNJCTFOF-XUTLUUPISA-N
XLogP7.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.63
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane?
The IUPAC name of methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane (CID 140568893) is methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane.
What is the SMILES notation for methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane?
The canonical SMILES for methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane is C=C(C)C(/C1=N/CCCCCCCC1)[Si](C)(CCC)CCC.
What is the InChIKey of methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane?
The InChIKey is BBPZCJLNJCTFOF-XUTLUUPISA-N. The full InChI is InChI=1S/C20H39NSi/c1-6-16-22(5,17-7-2)20(18(3)4)19-14-12-10-8-9-11-13-15-21-19/h20H,3,6-17H2,1-2,4-5H3/b21-19+.
What are the key properties of methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane?
methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane has a molecular weight of 321.63 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-1-(2,3,4,5,6,7,8,9-octahydroazecin-10-yl)prop-2-enyl]-dipropylsilane is sourced from PubChem (CID 140568893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).