1-(azacyclododec-3-yl)ethanamine;tripropoxysilane

C22H50N2O3Si — CID 173123595

IUPAC1-(azacyclododec-3-yl)ethanamine;tripropoxysilane
SMILESCC(N)C1CCCCCCCCCNC1.CCCO[SiH](OCCC)OCCC
InChIInChI=1S/C13H28N2.C9H22O3Si/c1-12(14)13-9-7-5-3-2-4-6-8-10-15-11-13;1-4-7-10-13(11-8-5-2)12-9-6-3/h12-13,15H,2-11,14H2,1H3;13H,4-9H2,1-3H3
InChIKeyYBQYZIYULKSTQW-UHFFFAOYSA-N
MW418.74 g/mol
LogP4.66
Rot. Bonds10

About 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane

1-(azacyclododec-3-yl)ethanamine;tripropoxysilane (PubChem CID 173123595) has the molecular formula C22H50N2O3Si and a molecular weight of 418.74 g/mol. Its IUPAC name is 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane.

Molecular Properties

Compound Name1-(azacyclododec-3-yl)ethanamine;tripropoxysilane
PubChem CID173123595
Molecular FormulaC22H50N2O3Si
Molecular Weight418.74 g/mol
Exact Mass418.36
IUPAC Name1-(azacyclododec-3-yl)ethanamine;tripropoxysilane
SMILESCC(N)C1CCCCCCCCCNC1.CCCO[SiH](OCCC)OCCC
InChIInChI=1S/C13H28N2.C9H22O3Si/c1-12(14)13-9-7-5-3-2-4-6-8-10-15-11-13;1-4-7-10-13(11-8-5-2)12-9-6-3/h12-13,15H,2-11,14H2,1H3;13H,4-9H2,1-3H3
InChIKeyYBQYZIYULKSTQW-UHFFFAOYSA-N
XLogP4.66
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.74
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-3-ylethanamine;triethoxysilane
CID 173046931
3-pentan-2-ylazepane
CID 107889859
propyl 2-amino-2-cyclohexylacetate
CID 61016884
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
1-(azepan-3-yl)pentan-1-ol
CID 67828850
azepane;triethoxysilane
CID 173012109
(1S)-1-(azetidin-3-yl)ethanamine
CID 96955547
1-propoxyethylcyclopentane
CID 159612357
amino-[1-(azepan-3-yl)-2-methylpropyl]carbamic acid
CID 174716207
methyl 3-methyl-2-piperidin-3-ylbutanoate
CID 83880549
cyclopropyl-[(3R)-piperidin-3-yl]methanamine
CID 70133311
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553

Frequently Asked Questions

What is the IUPAC name of 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane?
The IUPAC name of 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane (CID 173123595) is 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane.
What is the SMILES notation for 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane?
The canonical SMILES for 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane is CC(N)C1CCCCCCCCCNC1.CCCO[SiH](OCCC)OCCC.
What is the InChIKey of 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane?
The InChIKey is YBQYZIYULKSTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C9H22O3Si/c1-12(14)13-9-7-5-3-2-4-6-8-10-15-11-13;1-4-7-10-13(11-8-5-2)12-9-6-3/h12-13,15H,2-11,14H2,1H3;13H,4-9H2,1-3H3.
What are the key properties of 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane?
1-(azacyclododec-3-yl)ethanamine;tripropoxysilane has a molecular weight of 418.74 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azacyclododec-3-yl)ethanamine;tripropoxysilane is sourced from PubChem (CID 173123595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).