[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane

C21H43NSi — CID 173072666

IUPAC[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane
SMILESC=C(C[SiH](CCC)CCC)C(C)N1CCCCCCCCCC1
InChIInChI=1S/C21H43NSi/c1-5-17-23(18-6-2)19-20(3)21(4)22-15-13-11-9-7-8-10-12-14-16-22/h21,23H,3,5-19H2,1-2,4H3
InChIKeyINJUDKGCVJGXPQ-UHFFFAOYSA-N
MW337.67 g/mol
LogP6.41
Rot. Bonds8

About [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane

[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane (PubChem CID 173072666) has the molecular formula C21H43NSi and a molecular weight of 337.67 g/mol. Its IUPAC name is [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane.

Molecular Properties

Compound Name[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane
PubChem CID173072666
Molecular FormulaC21H43NSi
Molecular Weight337.67 g/mol
Exact Mass337.32
IUPAC Name[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane
SMILESC=C(C[SiH](CCC)CCC)C(C)N1CCCCCCCCCC1
InChIInChI=1S/C21H43NSi/c1-5-17-23(18-6-2)19-20(3)21(4)22-15-13-11-9-7-8-10-12-14-16-22/h21,23H,3,5-19H2,1-2,4H3
InChIKeyINJUDKGCVJGXPQ-UHFFFAOYSA-N
XLogP6.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.67
LogP ≤ 56.41
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 [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane?
The IUPAC name of [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane (CID 173072666) is [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane.
What is the SMILES notation for [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane?
The canonical SMILES for [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane is C=C(C[SiH](CCC)CCC)C(C)N1CCCCCCCCCC1.
What is the InChIKey of [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane?
The InChIKey is INJUDKGCVJGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NSi/c1-5-17-23(18-6-2)19-20(3)21(4)22-15-13-11-9-7-8-10-12-14-16-22/h21,23H,3,5-19H2,1-2,4H3.
What are the key properties of [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane?
[3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane has a molecular weight of 337.67 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azacycloundec-1-yl)-2-methylidenebutyl]-dipropylsilane is sourced from PubChem (CID 173072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).