1,1-diethoxy-4-silylbutan-2-amine

C8H21NO2Si — CID 174746425

IUPAC1,1-diethoxy-4-silylbutan-2-amine
SMILESCCOC(OCC)C(N)CC[SiH3]
InChIInChI=1S/C8H21NO2Si/c1-3-10-8(11-4-2)7(9)5-6-12/h7-8H,3-6,9H2,1-2,12H3
InChIKeyZMSCFLCLDPBZRU-UHFFFAOYSA-N
MW191.35 g/mol
LogP-0.11
Rot. Bonds7

About 1,1-diethoxy-4-silylbutan-2-amine

1,1-diethoxy-4-silylbutan-2-amine (PubChem CID 174746425) has the molecular formula C8H21NO2Si and a molecular weight of 191.35 g/mol. Its IUPAC name is 1,1-diethoxy-4-silylbutan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-4-silylbutan-2-amine
PubChem CID174746425
Molecular FormulaC8H21NO2Si
Molecular Weight191.35 g/mol
Exact Mass191.13
IUPAC Name1,1-diethoxy-4-silylbutan-2-amine
SMILESCCOC(OCC)C(N)CC[SiH3]
InChIInChI=1S/C8H21NO2Si/c1-3-10-8(11-4-2)7(9)5-6-12/h7-8H,3-6,9H2,1-2,12H3
InChIKeyZMSCFLCLDPBZRU-UHFFFAOYSA-N
XLogP-0.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-6-methylheptan-2-amine
CID 83160850
1,1-diethoxypent-4-yn-2-amine
CID 79496062
diethoxymethanamine;hydrochloride
CID 175125355
(2S)-3-ethoxybutan-2-amine
CID 64712582
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
1,3-diethoxybutan-2-amine
CID 79574517
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
(4S)-3-ethoxyheptan-4-amine
CID 104932381
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
1,1,2,3-tetraethoxybutane
CID 121007003
cyclopropane;diethoxymethanamine
CID 67531002

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-4-silylbutan-2-amine?
The IUPAC name of 1,1-diethoxy-4-silylbutan-2-amine (CID 174746425) is 1,1-diethoxy-4-silylbutan-2-amine.
What is the SMILES notation for 1,1-diethoxy-4-silylbutan-2-amine?
The canonical SMILES for 1,1-diethoxy-4-silylbutan-2-amine is CCOC(OCC)C(N)CC[SiH3].
What is the InChIKey of 1,1-diethoxy-4-silylbutan-2-amine?
The InChIKey is ZMSCFLCLDPBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2Si/c1-3-10-8(11-4-2)7(9)5-6-12/h7-8H,3-6,9H2,1-2,12H3.
What are the key properties of 1,1-diethoxy-4-silylbutan-2-amine?
1,1-diethoxy-4-silylbutan-2-amine has a molecular weight of 191.35 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-4-silylbutan-2-amine is sourced from PubChem (CID 174746425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).