N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine

C16H34N2O3Si — CID 134940573

IUPACN-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCO[Si](CCCNC1CN2CCC1CC2)(OCC)OCC
InChIInChI=1S/C16H34N2O3Si/c1-4-19-22(20-5-2,21-6-3)13-7-10-17-16-14-18-11-8-15(16)9-12-18/h15-17H,4-14H2,1-3H3
InChIKeyLQAYTYNAOOPYQX-UHFFFAOYSA-N
MW330.55 g/mol
LogP2.11
Rot. Bonds11

About N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 134940573) has the molecular formula C16H34N2O3Si and a molecular weight of 330.55 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID134940573
Molecular FormulaC16H34N2O3Si
Molecular Weight330.55 g/mol
Exact Mass330.23
IUPAC NameN-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCO[Si](CCCNC1CN2CCC1CC2)(OCC)OCC
InChIInChI=1S/C16H34N2O3Si/c1-4-19-22(20-5-2,21-6-3)13-7-10-17-16-14-18-11-8-15(16)9-12-18/h15-17H,4-14H2,1-3H3
InChIKeyLQAYTYNAOOPYQX-UHFFFAOYSA-N
XLogP2.11
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.55
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43807688
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
N-[(4-ethylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60971601
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
3-triethoxysilyl-N-[2-(2-triethoxysilylazetidin-1-yl)ethyl]propan-1-amine
CID 59305951
N-[3-[diethoxy(methoxy)silyl]propyl]cyclohexanamine
CID 66781682
6-(1-azabicyclo[2.2.2]octan-3-ylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711016
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60690787
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-butylthiourea
CID 115571033

Frequently Asked Questions

What is the IUPAC name of N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 134940573) is N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine is CCO[Si](CCCNC1CN2CCC1CC2)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is LQAYTYNAOOPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3Si/c1-4-19-22(20-5-2,21-6-3)13-7-10-17-16-14-18-11-8-15(16)9-12-18/h15-17H,4-14H2,1-3H3.
What are the key properties of N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 330.55 g/mol, XLogP of 2.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 134940573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).