1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol

C12H31N3O3Si — CID 174850635

IUPAC1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol
SMILESCCO[Si](C)(CCC(O)CCNCCN)OC(C)N
InChIInChI=1S/C12H31N3O3Si/c1-4-17-19(3,18-11(2)14)10-6-12(16)5-8-15-9-7-13/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyXMZPRVNFJWYGOZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP0.11
Rot. Bonds12

About 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol

1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol (PubChem CID 174850635) has the molecular formula C12H31N3O3Si and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol
PubChem CID174850635
Molecular FormulaC12H31N3O3Si
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC Name1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol
SMILESCCO[Si](C)(CCC(O)CCNCCN)OC(C)N
InChIInChI=1S/C12H31N3O3Si/c1-4-17-19(3,18-11(2)14)10-6-12(16)5-8-15-9-7-13/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyXMZPRVNFJWYGOZ-UHFFFAOYSA-N
XLogP0.11
TPSA102.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine
CID 141116193
3-[1-aminoethoxy(diethoxy)silyl]-N-ethylpropan-1-amine
CID 87523892
N'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
N'-[2-[ethoxy(dimethyl)silyl]ethyl]ethane-1,2-diamine
CID 153324417
3-(1-aminoethoxy-ethoxy-ethylsilyl)propan-1-amine
CID 174975378
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-[3-[dimethoxy(methyl)silyl]butyl]ethane-1,2-diamine
CID 20524577
3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
CID 174395414
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
1-(3-hydroxyhexylamino)hexan-3-ol
CID 19936302
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol?
The IUPAC name of 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol (CID 174850635) is 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol.
What is the SMILES notation for 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol?
The canonical SMILES for 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol is CCO[Si](C)(CCC(O)CCNCCN)OC(C)N.
What is the InChIKey of 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol?
The InChIKey is XMZPRVNFJWYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3O3Si/c1-4-17-19(3,18-11(2)14)10-6-12(16)5-8-15-9-7-13/h11-12,15-16H,4-10,13-14H2,1-3H3.
What are the key properties of 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol?
1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol has a molecular weight of 293.48 g/mol, XLogP of 0.11, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethoxy-ethoxy-methylsilyl)-5-(2-aminoethylamino)pentan-3-ol is sourced from PubChem (CID 174850635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).