3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane

C22H45NSi — CID 173071742

IUPAC3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane
SMILESCCC[SiH](C=CC(C)N1CCCCCCCCCCCC1)CCC
InChIInChI=1S/C22H45NSi/c1-4-19-24(20-5-2)21-16-22(3)23-17-14-12-10-8-6-7-9-11-13-15-18-23/h16,21-22,24H,4-15,17-20H2,1-3H3
InChIKeyXKYBGTLQCBSRHL-UHFFFAOYSA-N
MW351.70 g/mol
LogP6.73
Rot. Bonds7

About 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane

3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane (PubChem CID 173071742) has the molecular formula C22H45NSi and a molecular weight of 351.70 g/mol. Its IUPAC name is 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane.

Molecular Properties

Compound Name3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane
PubChem CID173071742
Molecular FormulaC22H45NSi
Molecular Weight351.70 g/mol
Exact Mass351.33
IUPAC Name3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane
SMILESCCC[SiH](C=CC(C)N1CCCCCCCCCCCC1)CCC
InChIInChI=1S/C22H45NSi/c1-4-19-24(20-5-2)21-16-22(3)23-17-14-12-10-8-6-7-9-11-13-15-18-23/h16,21-22,24H,4-15,17-20H2,1-3H3
InChIKeyXKYBGTLQCBSRHL-UHFFFAOYSA-N
XLogP6.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.70
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane?
The IUPAC name of 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane (CID 173071742) is 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane.
What is the SMILES notation for 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane?
The canonical SMILES for 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane is CCC[SiH](C=CC(C)N1CCCCCCCCCCCC1)CCC.
What is the InChIKey of 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane?
The InChIKey is XKYBGTLQCBSRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NSi/c1-4-19-24(20-5-2)21-16-22(3)23-17-14-12-10-8-6-7-9-11-13-15-18-23/h16,21-22,24H,4-15,17-20H2,1-3H3.
What are the key properties of 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane?
3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane has a molecular weight of 351.70 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane is sourced from PubChem (CID 173071742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).