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

C13H29NO3Si — CID 174432379

IUPACN,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCNCC(C)CC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C13H29NO3Si/c1-12(11-14-2)10-13(15-3)8-6-7-9-18(13,16-4)17-5/h12,14H,6-11H2,1-5H3
InChIKeyRKCCKROPGFOUGM-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.08
Rot. Bonds7

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

N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine (PubChem CID 174432379) has the molecular formula C13H29NO3Si and a molecular weight of 275.46 g/mol. Its IUPAC name is N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
PubChem CID174432379
Molecular FormulaC13H29NO3Si
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCNCC(C)CC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C13H29NO3Si/c1-12(11-14-2)10-13(15-3)8-6-7-9-18(13,16-4)17-5/h12,14H,6-11H2,1-5H3
InChIKeyRKCCKROPGFOUGM-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.08
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,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine (CID 174432379) is N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine is CNCC(C)CC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The InChIKey is RKCCKROPGFOUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-12(11-14-2)10-13(15-3)8-6-7-9-18(13,16-4)17-5/h12,14H,6-11H2,1-5H3.
What are the key properties of N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine is sourced from PubChem (CID 174432379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).