2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine

C12H27NO3Si — CID 174519087

IUPAC2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCOC1(CC(C)CN)CCCC[Si]1(OC)OC
InChIInChI=1S/C12H27NO3Si/c1-11(10-13)9-12(14-2)7-5-6-8-17(12,15-3)16-4/h11H,5-10,13H2,1-4H3
InChIKeyNKPZSCUDSHLKKC-UHFFFAOYSA-N
MW261.44 g/mol
LogP1.81
Rot. Bonds6

About 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine

2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine (PubChem CID 174519087) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
PubChem CID174519087
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCOC1(CC(C)CN)CCCC[Si]1(OC)OC
InChIInChI=1S/C12H27NO3Si/c1-11(10-13)9-12(14-2)7-5-6-8-17(12,15-3)16-4/h11H,5-10,13H2,1-4H3
InChIKeyNKPZSCUDSHLKKC-UHFFFAOYSA-N
XLogP1.81
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
2-(3-isothiocyanatopropyl)-1,1,2-trimethoxysilinane
CID 174434144
N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline
CID 174819805
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine (CID 174519087) is 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine is COC1(CC(C)CN)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The InChIKey is NKPZSCUDSHLKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-11(10-13)9-12(14-2)7-5-6-8-17(12,15-3)16-4/h11H,5-10,13H2,1-4H3.
What are the key properties of 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine has a molecular weight of 261.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine is sourced from PubChem (CID 174519087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).