N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane

C6H13Cl2NSi — CID 173211748

IUPACN,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
SMILESC=CCN(Cl)CC=CCl.[SiH4]
InChIInChI=1S/C6H9Cl2N.H4Si/c1-2-5-9(8)6-3-4-7;/h2-4H,1,5-6H2;1H4
InChIKeyQXTKNIFVWLRNQD-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.93
Rot. Bonds4

About N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane

N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane (PubChem CID 173211748) has the molecular formula C6H13Cl2NSi and a molecular weight of 198.17 g/mol. Its IUPAC name is N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane.

Molecular Properties

Compound NameN,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
PubChem CID173211748
Molecular FormulaC6H13Cl2NSi
Molecular Weight198.17 g/mol
Exact Mass197.02
IUPAC NameN,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
SMILESC=CCN(Cl)CC=CCl.[SiH4]
InChIInChI=1S/C6H9Cl2N.H4Si/c1-2-5-9(8)6-3-4-7;/h2-4H,1,5-6H2;1H4
InChIKeyQXTKNIFVWLRNQD-UHFFFAOYSA-N
XLogP0.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane?
The IUPAC name of N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane (CID 173211748) is N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane.
What is the SMILES notation for N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane?
The canonical SMILES for N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane is C=CCN(Cl)CC=CCl.[SiH4].
What is the InChIKey of N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane?
The InChIKey is QXTKNIFVWLRNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2N.H4Si/c1-2-5-9(8)6-3-4-7;/h2-4H,1,5-6H2;1H4.
What are the key properties of N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane?
N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane has a molecular weight of 198.17 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane is sourced from PubChem (CID 173211748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).