N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine

C12H31N3O2Si — CID 141116193

IUPACN'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine
SMILESCCO[Si](C)(CCCN)OC(C)CCNCCN
InChIInChI=1S/C12H31N3O2Si/c1-4-16-18(3,11-5-7-13)17-12(2)6-9-15-10-8-14/h12,15H,4-11,13-14H2,1-3H3
InChIKeyWKBVAZSXHWQFFO-UHFFFAOYSA-N
MW277.49 g/mol
LogP0.79
Rot. Bonds12

About N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine

N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine (PubChem CID 141116193) has the molecular formula C12H31N3O2Si and a molecular weight of 277.49 g/mol. Its IUPAC name is N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine
PubChem CID141116193
Molecular FormulaC12H31N3O2Si
Molecular Weight277.49 g/mol
Exact Mass277.22
IUPAC NameN'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine
SMILESCCO[Si](C)(CCCN)OC(C)CCNCCN
InChIInChI=1S/C12H31N3O2Si/c1-4-16-18(3,11-5-7-13)17-12(2)6-9-15-10-8-14/h12,15H,4-11,13-14H2,1-3H3
InChIKeyWKBVAZSXHWQFFO-UHFFFAOYSA-N
XLogP0.79
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.49
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol
CID 174850635
3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
CID 174395414
4-[ethoxy(dimethyl)silyl]oxypentan-1-amine
CID 141359979
N'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
CID 141113321
N'-[2-[ethoxy(dimethyl)silyl]ethyl]ethane-1,2-diamine
CID 153324417
3-[diethoxy(methyl)silyl]propan-1-amine;tetramethyl silicate
CID 160657571
3-[1-[dimethyl(phenyl)silyl]ethoxy-ethoxy-methylsilyl]propan-1-amine
CID 175152153
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
CID 22679052
N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine
CID 18366419
5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate
CID 141125272

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine (CID 141116193) is N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine is CCO[Si](C)(CCCN)OC(C)CCNCCN.
What is the InChIKey of N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine?
The InChIKey is WKBVAZSXHWQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3O2Si/c1-4-16-18(3,11-5-7-13)17-12(2)6-9-15-10-8-14/h12,15H,4-11,13-14H2,1-3H3.
What are the key properties of N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine?
N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine has a molecular weight of 277.49 g/mol, XLogP of 0.79, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine is sourced from PubChem (CID 141116193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).