N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine

C14H26N2O2Si — CID 20829624

IUPACN'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine
SMILESCO[Si](C)(CCc1ccc(CNCCN)cc1)OC
InChIInChI=1S/C14H26N2O2Si/c1-17-19(3,18-2)11-8-13-4-6-14(7-5-13)12-16-10-9-15/h4-7,16H,8-12,15H2,1-3H3
InChIKeyAFQASUAYCZAWBX-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.64
Rot. Bonds9

About N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine

N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 20829624) has the molecular formula C14H26N2O2Si and a molecular weight of 282.46 g/mol. Its IUPAC name is N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID20829624
Molecular FormulaC14H26N2O2Si
Molecular Weight282.46 g/mol
Exact Mass282.18
IUPAC NameN'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine
SMILESCO[Si](C)(CCc1ccc(CNCCN)cc1)OC
InChIInChI=1S/C14H26N2O2Si/c1-17-19(3,18-2)11-8-13-4-6-14(7-5-13)12-16-10-9-15/h4-7,16H,8-12,15H2,1-3H3
InChIKeyAFQASUAYCZAWBX-UHFFFAOYSA-N
XLogP1.64
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754
N'-[[4-(2-silylethyl)phenyl]methyl]ethane-1,2-diamine
CID 123752632
N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329852
2-[2-[3-[dimethoxy(methyl)silyl]propyl]hydrazinyl]ethanamine
CID 139823284
N'-[[4-[4-[(2-aminoethylamino)methyl]phenoxy]phenyl]methyl]ethane-1,2-diamine
CID 154146125
N'-[(4-aminophenyl)methyl]ethane-1,2-diamine
CID 13286601
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
acetic acid;N'-[(4-dodecylphenyl)methyl]ethane-1,2-diamine
CID 71329851

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine (CID 20829624) is N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine is CO[Si](C)(CCc1ccc(CNCCN)cc1)OC.
What is the InChIKey of N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is AFQASUAYCZAWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2Si/c1-17-19(3,18-2)11-8-13-4-6-14(7-5-13)12-16-10-9-15/h4-7,16H,8-12,15H2,1-3H3.
What are the key properties of N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine?
N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 282.46 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 20829624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).