2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine

C14H30N2O3Si — CID 150288167

IUPAC2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine
SMILESCC1CN(CCN(C)C)CC2COCCC[Si](C)(O1)O2
InChIInChI=1S/C14H30N2O3Si/c1-13-10-16(7-6-15(2)3)11-14-12-17-8-5-9-20(4,18-13)19-14/h13-14H,5-12H2,1-4H3
InChIKeyGHABDJZPVJQKNI-UHFFFAOYSA-N
MW302.49 g/mol
LogP1.15
Rot. Bonds3

About 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine

2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine (PubChem CID 150288167) has the molecular formula C14H30N2O3Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine
PubChem CID150288167
Molecular FormulaC14H30N2O3Si
Molecular Weight302.49 g/mol
Exact Mass302.20
IUPAC Name2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine
SMILESCC1CN(CCN(C)C)CC2COCCC[Si](C)(O1)O2
InChIInChI=1S/C14H30N2O3Si/c1-13-10-16(7-6-15(2)3)11-14-12-17-8-5-9-20(4,18-13)19-14/h13-14H,5-12H2,1-4H3
InChIKeyGHABDJZPVJQKNI-UHFFFAOYSA-N
XLogP1.15
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine with MolForge

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Related Compounds

6-ethyl-1-methoxy-3-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
CID 150485048
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
1-ethoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
CID 151075828
1-methoxy-6-methyl-2,10,14-trioxa-6-aza-1-silabicyclo[6.5.1]tetradecane
CID 150977084
1-[(2-methoxy-2-methyl-1,6,2-dioxasilocan-8-yl)methyl]piperidine
CID 67462069
1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
CID 114499538
3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
CID 63211366
2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
CID 63387040
2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914046
N-[2-(dimethylamino)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine
CID 65384373
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914043

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine (CID 150288167) is 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine is CC1CN(CCN(C)C)CC2COCCC[Si](C)(O1)O2.
What is the InChIKey of 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine?
The InChIKey is GHABDJZPVJQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3Si/c1-13-10-16(7-6-15(2)3)11-14-12-17-8-5-9-20(4,18-13)19-14/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine?
2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine has a molecular weight of 302.49 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,9,13-trioxa-5-aza-1-silabicyclo[5.5.1]tridecan-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 150288167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).