N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine

C13H34N4O3Si — CID 134961256

IUPACN-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCNCCNCCNCCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H34N4O3Si/c1-14-7-8-16-11-12-17-10-9-15-6-5-13-21(18-2,19-3)20-4/h14-17H,5-13H2,1-4H3
InChIKeyXOLRFMBRNRIBSM-UHFFFAOYSA-N
MW322.53 g/mol
LogP-0.76
Rot. Bonds16

About N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine

N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 134961256) has the molecular formula C13H34N4O3Si and a molecular weight of 322.53 g/mol. Its IUPAC name is N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID134961256
Molecular FormulaC13H34N4O3Si
Molecular Weight322.53 g/mol
Exact Mass322.24
IUPAC NameN-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCNCCNCCNCCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H34N4O3Si/c1-14-7-8-16-11-12-17-10-9-15-6-5-13-21(18-2,19-3)20-4/h14-17H,5-13H2,1-4H3
InChIKeyXOLRFMBRNRIBSM-UHFFFAOYSA-N
XLogP-0.76
TPSA75.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
CID 171623611
18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
CID 175425921
3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine
CID 172810414
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N-[3-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
CID 153282899
CID 153282899

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 134961256) is N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine is CNCCNCCNCCNCCC[Si](OC)(OC)OC.
What is the InChIKey of N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is XOLRFMBRNRIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H34N4O3Si/c1-14-7-8-16-11-12-17-10-9-15-6-5-13-21(18-2,19-3)20-4/h14-17H,5-13H2,1-4H3.
What are the key properties of N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine?
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 322.53 g/mol, XLogP of -0.76, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 134961256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).