[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane

C20H41NSi — CID 173072469

IUPAC[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane
SMILESC/C=C(/C[SiH](C)C)C(C)N1CCCCCCCCCCCC1
InChIInChI=1S/C20H41NSi/c1-5-20(18-22(3)4)19(2)21-16-14-12-10-8-6-7-9-11-13-15-17-21/h5,19,22H,6-18H2,1-4H3/b20-5-
InChIKeyMMDNSJOKHORXJN-SDPNRITHSA-N
MW323.64 g/mol
LogP6.02
Rot. Bonds4

About [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane

[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane (PubChem CID 173072469) has the molecular formula C20H41NSi and a molecular weight of 323.64 g/mol. Its IUPAC name is [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane.

Molecular Properties

Compound Name[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane
PubChem CID173072469
Molecular FormulaC20H41NSi
Molecular Weight323.64 g/mol
Exact Mass323.30
IUPAC Name[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane
SMILESC/C=C(/C[SiH](C)C)C(C)N1CCCCCCCCCCCC1
InChIInChI=1S/C20H41NSi/c1-5-20(18-22(3)4)19(2)21-16-14-12-10-8-6-7-9-11-13-15-17-21/h5,19,22H,6-18H2,1-4H3/b20-5-
InChIKeyMMDNSJOKHORXJN-SDPNRITHSA-N
XLogP6.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.64
LogP ≤ 56.02
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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Related Compounds

2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane
CID 123313740
1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885
2-pyrrolidin-1-ylpropanethioamide
CID 20508430
[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane
CID 173072666
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
(1S)-1-piperidin-1-ylethanol
CID 86312531
3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine
CID 106547014
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
1-(azepan-1-yl)ethyl-ethyl-prop-1-enylsilane
CID 150309517
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
CID 69225763
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane?
The IUPAC name of [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane (CID 173072469) is [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane.
What is the SMILES notation for [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane?
The canonical SMILES for [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane is C/C=C(/C[SiH](C)C)C(C)N1CCCCCCCCCCCC1.
What is the InChIKey of [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane?
The InChIKey is MMDNSJOKHORXJN-SDPNRITHSA-N. The full InChI is InChI=1S/C20H41NSi/c1-5-20(18-22(3)4)19(2)21-16-14-12-10-8-6-7-9-11-13-15-17-21/h5,19,22H,6-18H2,1-4H3/b20-5-.
What are the key properties of [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane?
[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane has a molecular weight of 323.64 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane is sourced from PubChem (CID 173072469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).