N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine

C20H51N3O9Si4 — CID 71336651

IUPACN-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine
SMILESC=C[Si](NCCC[Si](OC)(OC)OC)(NCCC[Si](OC)(OC)OC)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C20H51N3O9Si4/c1-11-33(21-15-12-18-34(24-2,25-3)26-4,22-16-13-19-35(27-5,28-6)29-7)23-17-14-20-36(30-8,31-9)32-10/h11,21-23H,1,12-20H2,2-10H3
InChIKeyUPECYJZYPVKELU-UHFFFAOYSA-N
MW589.98 g/mol
LogP1.22
Rot. Bonds25

About N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine

N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine (PubChem CID 71336651) has the molecular formula C20H51N3O9Si4 and a molecular weight of 589.98 g/mol. Its IUPAC name is N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine
PubChem CID71336651
Molecular FormulaC20H51N3O9Si4
Molecular Weight589.98 g/mol
Exact Mass589.27
IUPAC NameN-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine
SMILESC=C[Si](NCCC[Si](OC)(OC)OC)(NCCC[Si](OC)(OC)OC)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C20H51N3O9Si4/c1-11-33(21-15-12-18-34(24-2,25-3)26-4,22-16-13-19-35(27-5,28-6)29-7)23-17-14-20-36(30-8,31-9)32-10/h11,21-23H,1,12-20H2,2-10H3
InChIKeyUPECYJZYPVKELU-UHFFFAOYSA-N
XLogP1.22
TPSA119.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.98
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(butylamino)-ethenylsilyl]butan-1-amine
CID 22505773
2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
CID 173360794
1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
CID 140840932
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N-(3-trimethoxysilylpropyl)formamide
CID 14388644
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
CID 20651955
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855

Frequently Asked Questions

What is the IUPAC name of N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine?
The IUPAC name of N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine (CID 71336651) is N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine is C=C[Si](NCCC[Si](OC)(OC)OC)(NCCC[Si](OC)(OC)OC)NCCC[Si](OC)(OC)OC.
What is the InChIKey of N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine?
The InChIKey is UPECYJZYPVKELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H51N3O9Si4/c1-11-33(21-15-12-18-34(24-2,25-3)26-4,22-16-13-19-35(27-5,28-6)29-7)23-17-14-20-36(30-8,31-9)32-10/h11,21-23H,1,12-20H2,2-10H3.
What are the key properties of N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine?
N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine has a molecular weight of 589.98 g/mol, XLogP of 1.22, 25 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 71336651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).