2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane

C19H39NSi — CID 123313740

IUPAC2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane
SMILESCC=C(C[SiH](CCC)CCC)C(C)N1CCCCCCC1
InChIInChI=1S/C19H39NSi/c1-5-15-21(16-6-2)17-19(7-3)18(4)20-13-11-9-8-10-12-14-20/h7,18,21H,5-6,8-17H2,1-4H3
InChIKeyKSJIBJFYCLIXDH-UHFFFAOYSA-N
MW309.61 g/mol
LogP5.63
Rot. Bonds8

About 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane

2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane (PubChem CID 123313740) has the molecular formula C19H39NSi and a molecular weight of 309.61 g/mol. Its IUPAC name is 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane.

Molecular Properties

Compound Name2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane
PubChem CID123313740
Molecular FormulaC19H39NSi
Molecular Weight309.61 g/mol
Exact Mass309.29
IUPAC Name2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane
SMILESCC=C(C[SiH](CCC)CCC)C(C)N1CCCCCCC1
InChIInChI=1S/C19H39NSi/c1-5-15-21(16-6-2)17-19(7-3)18(4)20-13-11-9-8-10-12-14-20/h7,18,21H,5-6,8-17H2,1-4H3
InChIKeyKSJIBJFYCLIXDH-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.61
LogP ≤ 55.63
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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Related Compounds

[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane
CID 173072666
[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane
CID 173072469
1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885
3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane
CID 173071742
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine
CID 142028302
1-(azepan-1-yl)ethyl-ethyl-prop-1-enylsilane
CID 150309517
2-pyrrolidin-1-ylpropanethioamide
CID 20508430
(1S)-1-piperidin-1-ylethanol
CID 86312531
1-(2-deuteriopropan-2-yl)piperidine
CID 141005811
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane?
The IUPAC name of 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane (CID 123313740) is 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane.
What is the SMILES notation for 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane?
The canonical SMILES for 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane is CC=C(C[SiH](CCC)CCC)C(C)N1CCCCCCC1.
What is the InChIKey of 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane?
The InChIKey is KSJIBJFYCLIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NSi/c1-5-15-21(16-6-2)17-19(7-3)18(4)20-13-11-9-8-10-12-14-20/h7,18,21H,5-6,8-17H2,1-4H3.
What are the key properties of 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane?
2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane has a molecular weight of 309.61 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane is sourced from PubChem (CID 123313740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).