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

C14H31NO3Si — CID 174389512

IUPACN-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCCNCC(C)CC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C14H31NO3Si/c1-6-15-12-13(2)11-14(16-3)9-7-8-10-19(14,17-4)18-5/h13,15H,6-12H2,1-5H3
InChIKeyIICKMQVAYRTOQY-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.47
Rot. Bonds8

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

N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine (PubChem CID 174389512) has the molecular formula C14H31NO3Si and a molecular weight of 289.49 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
PubChem CID174389512
Molecular FormulaC14H31NO3Si
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCCNCC(C)CC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C14H31NO3Si/c1-6-15-12-13(2)11-14(16-3)9-7-8-10-19(14,17-4)18-5/h13,15H,6-12H2,1-5H3
InChIKeyIICKMQVAYRTOQY-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine (CID 174389512) is N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine is CCNCC(C)CC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The InChIKey is IICKMQVAYRTOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3Si/c1-6-15-12-13(2)11-14(16-3)9-7-8-10-19(14,17-4)18-5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine is sourced from PubChem (CID 174389512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).