2,3-dichloro-N-ethyl-1-silylpropan-1-amine

C5H13Cl2NSi — CID 173059356

IUPAC2,3-dichloro-N-ethyl-1-silylpropan-1-amine
SMILESCCNC([SiH3])C(Cl)CCl
InChIInChI=1S/C5H13Cl2NSi/c1-2-8-5(9)4(7)3-6/h4-5,8H,2-3H2,1,9H3
InChIKeyCMCSPLBJPWWNGU-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.13
Rot. Bonds4

About 2,3-dichloro-N-ethyl-1-silylpropan-1-amine

2,3-dichloro-N-ethyl-1-silylpropan-1-amine (PubChem CID 173059356) has the molecular formula C5H13Cl2NSi and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,3-dichloro-N-ethyl-1-silylpropan-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-ethyl-1-silylpropan-1-amine
PubChem CID173059356
Molecular FormulaC5H13Cl2NSi
Molecular Weight186.16 g/mol
Exact Mass185.02
IUPAC Name2,3-dichloro-N-ethyl-1-silylpropan-1-amine
SMILESCCNC([SiH3])C(Cl)CCl
InChIInChI=1S/C5H13Cl2NSi/c1-2-8-5(9)4(7)3-6/h4-5,8H,2-3H2,1,9H3
InChIKeyCMCSPLBJPWWNGU-UHFFFAOYSA-N
XLogP0.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-ethyl-1-silylpropan-1-amine?
The IUPAC name of 2,3-dichloro-N-ethyl-1-silylpropan-1-amine (CID 173059356) is 2,3-dichloro-N-ethyl-1-silylpropan-1-amine.
What is the SMILES notation for 2,3-dichloro-N-ethyl-1-silylpropan-1-amine?
The canonical SMILES for 2,3-dichloro-N-ethyl-1-silylpropan-1-amine is CCNC([SiH3])C(Cl)CCl.
What is the InChIKey of 2,3-dichloro-N-ethyl-1-silylpropan-1-amine?
The InChIKey is CMCSPLBJPWWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13Cl2NSi/c1-2-8-5(9)4(7)3-6/h4-5,8H,2-3H2,1,9H3.
What are the key properties of 2,3-dichloro-N-ethyl-1-silylpropan-1-amine?
2,3-dichloro-N-ethyl-1-silylpropan-1-amine has a molecular weight of 186.16 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-ethyl-1-silylpropan-1-amine is sourced from PubChem (CID 173059356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).