N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine

C12H30N2O3Si — CID 22359732

IUPACN'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](OCC)(OCC)C(NCCN)C(C)C
InChIInChI=1S/C12H30N2O3Si/c1-6-15-18(16-7-2,17-8-3)12(11(4)5)14-10-9-13/h11-12,14H,6-10,13H2,1-5H3
InChIKeyVCDDDNPMEOCYGC-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.15
Rot. Bonds11

About N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine

N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 22359732) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
PubChem CID22359732
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC NameN'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
SMILESCCO[Si](OCC)(OCC)C(NCCN)C(C)C
InChIInChI=1S/C12H30N2O3Si/c1-6-15-18(16-7-2,17-8-3)12(11(4)5)14-10-9-13/h11-12,14H,6-10,13H2,1-5H3
InChIKeyVCDDDNPMEOCYGC-UHFFFAOYSA-N
XLogP1.15
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 173156526
N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine
CID 154308383
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
N'-(1-trimethoxysilylethyl)ethane-1,2-diamine
CID 21267592
(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
CID 99865004
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
2-triethoxysilylbutane-1,4-diamine
CID 89315608
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
N'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
2-N-(2-triethoxysilylethyl)propane-1,2-diamine
CID 59561197

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine (CID 22359732) is N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine is CCO[Si](OCC)(OCC)C(NCCN)C(C)C.
What is the InChIKey of N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is VCDDDNPMEOCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-6-15-18(16-7-2,17-8-3)12(11(4)5)14-10-9-13/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine?
N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 22359732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).