3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride

C17H31ClN2O3Si — CID 19911230

IUPAC3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride
SMILESC=Cc1ccccc1CNC(C)C(CN)C[Si](OC)(OC)OC.[Cl-].[H+]
InChIInChI=1S/C17H30N2O3Si.ClH/c1-6-15-9-7-8-10-16(15)12-19-14(2)17(11-18)13-23(20-3,21-4)22-5;/h6-10,14,17,19H,1,11-13,18H2,2-5H3;1H
InChIKeyTYCPGGFHSRQPRU-UHFFFAOYSA-N
MW374.99 g/mol
LogP-0.62
Rot. Bonds11

About 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride

3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride (PubChem CID 19911230) has the molecular formula C17H31ClN2O3Si and a molecular weight of 374.99 g/mol. Its IUPAC name is 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride.

Molecular Properties

Compound Name3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride
PubChem CID19911230
Molecular FormulaC17H31ClN2O3Si
Molecular Weight374.99 g/mol
Exact Mass374.18
IUPAC Name3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride
SMILESC=Cc1ccccc1CNC(C)C(CN)C[Si](OC)(OC)OC.[Cl-].[H+]
InChIInChI=1S/C17H30N2O3Si.ClH/c1-6-15-9-7-8-10-16(15)12-19-14(2)17(11-18)13-23(20-3,21-4)22-5;/h6-10,14,17,19H,1,11-13,18H2,2-5H3;1H
InChIKeyTYCPGGFHSRQPRU-UHFFFAOYSA-N
XLogP-0.62
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.99
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride?
The IUPAC name of 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride (CID 19911230) is 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride.
What is the SMILES notation for 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride?
The canonical SMILES for 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride is C=Cc1ccccc1CNC(C)C(CN)C[Si](OC)(OC)OC.[Cl-].[H+].
What is the InChIKey of 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride?
The InChIKey is TYCPGGFHSRQPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si.ClH/c1-6-15-9-7-8-10-16(15)12-19-14(2)17(11-18)13-23(20-3,21-4)22-5;/h6-10,14,17,19H,1,11-13,18H2,2-5H3;1H.
What are the key properties of 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride?
3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride has a molecular weight of 374.99 g/mol, XLogP of -0.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride is sourced from PubChem (CID 19911230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).