N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride

C16H31ClN2O3Si — CID 91547626

IUPACN-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride
SMILESC=Cc1ccccc1.CCNCCNC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C8H22N2O3Si.C8H8.ClH/c1-5-9-6-7-10-8-14(11-2,12-3)13-4;1-2-8-6-4-3-5-7-8;/h9-10H,5-8H2,1-4H3;2-7H,1H2;1H
InChIKeyWPUNUDQNIBWZMX-UHFFFAOYSA-N
MW362.97 g/mol
LogP2.35
Rot. Bonds10

About N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride

N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride (PubChem CID 91547626) has the molecular formula C16H31ClN2O3Si and a molecular weight of 362.97 g/mol. Its IUPAC name is N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride
PubChem CID91547626
Molecular FormulaC16H31ClN2O3Si
Molecular Weight362.97 g/mol
Exact Mass362.18
IUPAC NameN-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride
SMILESC=Cc1ccccc1.CCNCCNC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C8H22N2O3Si.C8H8.ClH/c1-5-9-6-7-10-8-14(11-2,12-3)13-4;1-2-8-6-4-3-5-7-8;/h9-10H,5-8H2,1-4H3;2-7H,1H2;1H
InChIKeyWPUNUDQNIBWZMX-UHFFFAOYSA-N
XLogP2.35
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.97
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride?
The IUPAC name of N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride (CID 91547626) is N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride.
What is the SMILES notation for N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride?
The canonical SMILES for N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride is C=Cc1ccccc1.CCNCCNC[Si](OC)(OC)OC.Cl.
What is the InChIKey of N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride?
The InChIKey is WPUNUDQNIBWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si.C8H8.ClH/c1-5-9-6-7-10-8-14(11-2,12-3)13-4;1-2-8-6-4-3-5-7-8;/h9-10H,5-8H2,1-4H3;2-7H,1H2;1H.
What are the key properties of N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride?
N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride has a molecular weight of 362.97 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(trimethoxysilylmethyl)ethane-1,2-diamine;styrene;hydrochloride is sourced from PubChem (CID 91547626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).