N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine

C16H35NO3Si — CID 141408613

IUPACN,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine
SMILESCO[Si](C=CC(C)(C)N(C(C)(C)C)C(C)(C)C)(OC)OC
InChIInChI=1S/C16H35NO3Si/c1-14(2,3)17(15(4,5)6)16(7,8)12-13-21(18-9,19-10)20-11/h12-13H,1-11H3
InChIKeyNSARPPXRSUPMHE-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.64
Rot. Bonds6

About N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine

N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine (PubChem CID 141408613) has the molecular formula C16H35NO3Si and a molecular weight of 317.55 g/mol. Its IUPAC name is N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine
PubChem CID141408613
Molecular FormulaC16H35NO3Si
Molecular Weight317.55 g/mol
Exact Mass317.24
IUPAC NameN,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine
SMILESCO[Si](C=CC(C)(C)N(C(C)(C)C)C(C)(C)C)(OC)OC
InChIInChI=1S/C16H35NO3Si/c1-14(2,3)17(15(4,5)6)16(7,8)12-13-21(18-9,19-10)20-11/h12-13H,1-11H3
InChIKeyNSARPPXRSUPMHE-UHFFFAOYSA-N
XLogP3.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-tert-butylsulfanylethenyl]-trimethoxysilane
CID 101363415
dimethyl-bis[(E)-2-trimethoxysilylethenyl]silane
CID 140784850
2-dimethylsilylethenyl(trimethoxy)silane
CID 175517605
Silane vinyltrimethoxysilane
CID 22670033
N-tert-butyl-2-methyl-N-trimethoxysilylpropan-2-amine
CID 87081255
trimethoxysilylformaldehyde
CID 59465025
N-tert-butyl-N-[dimethoxy(propan-2-yl)silyl]-2-methylpropan-2-amine
CID 87082076
trimethoxy-[(1E,9E)-10-trimethoxysilyldeca-1,9-dienyl]silane
CID 11211146
bromoethene;ethenyl(trimethoxy)silane
CID 174864821
ethenyl-[2-[ethenyl(dimethoxy)silyl]propan-2-yloxy]-[ethenyl-[2-[ethenyl(dimethoxy)silyl]propan-2-yloxy]-methoxysilyl]oxy-methoxysilane
CID 20764455
1-N,1-N,1-N',1-N',1-N",1-N"-hexatert-butylethane-1,1,1-triamine
CID 174059884
ethenoxyethene;ethenyl(trimethoxy)silane
CID 174894710

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine?
The IUPAC name of N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine (CID 141408613) is N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine.
What is the SMILES notation for N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine?
The canonical SMILES for N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine is CO[Si](C=CC(C)(C)N(C(C)(C)C)C(C)(C)C)(OC)OC.
What is the InChIKey of N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine?
The InChIKey is NSARPPXRSUPMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3Si/c1-14(2,3)17(15(4,5)6)16(7,8)12-13-21(18-9,19-10)20-11/h12-13H,1-11H3.
What are the key properties of N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine?
N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine has a molecular weight of 317.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-2-methyl-4-trimethoxysilylbut-3-en-2-amine is sourced from PubChem (CID 141408613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).