1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine

C9H23N3O3Si — CID 20651955

IUPAC1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
SMILESC=C(NCN)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H23N3O3Si/c1-9(12-8-10)11-6-5-7-16(13-2,14-3)15-4/h11-12H,1,5-8,10H2,2-4H3
InChIKeyCKDUDSRQVRSJGJ-UHFFFAOYSA-N
MW249.39 g/mol
LogP-0.18
Rot. Bonds10

About 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine

1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine (PubChem CID 20651955) has the molecular formula C9H23N3O3Si and a molecular weight of 249.39 g/mol. Its IUPAC name is 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
PubChem CID20651955
Molecular FormulaC9H23N3O3Si
Molecular Weight249.39 g/mol
Exact Mass249.15
IUPAC Name1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
SMILESC=C(NCN)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H23N3O3Si/c1-9(12-8-10)11-6-5-7-16(13-2,14-3)15-4/h11-12H,1,5-8,10H2,2-4H3
InChIKeyCKDUDSRQVRSJGJ-UHFFFAOYSA-N
XLogP-0.18
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
CID 140840932
N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
CID 22616707
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
3-trimethoxysilylpropylcarbamodithioic acid
CID 14513088
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
methyl 2-(3-trimethoxysilylpropylamino)propanoate
CID 90838923
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213

Frequently Asked Questions

What is the IUPAC name of 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine (CID 20651955) is 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine is C=C(NCN)NCCC[Si](OC)(OC)OC.
What is the InChIKey of 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine?
The InChIKey is CKDUDSRQVRSJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3Si/c1-9(12-8-10)11-6-5-7-16(13-2,14-3)15-4/h11-12H,1,5-8,10H2,2-4H3.
What are the key properties of 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine?
1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine has a molecular weight of 249.39 g/mol, XLogP of -0.18, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine is sourced from PubChem (CID 20651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).