4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine

C12H25NO4Si — CID 173013917

IUPAC4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine
SMILESCO[SiH](CCCCN(CC1CO1)CC1CO1)OC
InChIInChI=1S/C12H25NO4Si/c1-14-18(15-2)6-4-3-5-13(7-11-9-16-11)8-12-10-17-12/h11-12,18H,3-10H2,1-2H3
InChIKeyPHUUQHCDZLQELJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.38
Rot. Bonds11

About 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine

4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine (PubChem CID 173013917) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine
PubChem CID173013917
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine
SMILESCO[SiH](CCCCN(CC1CO1)CC1CO1)OC
InChIInChI=1S/C12H25NO4Si/c1-14-18(15-2)6-4-3-5-13(7-11-9-16-11)8-12-10-17-12/h11-12,18H,3-10H2,1-2H3
InChIKeyPHUUQHCDZLQELJ-UHFFFAOYSA-N
XLogP0.38
TPSA46.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane
CID 173197488
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
4-dimethoxysilyl-N,N-dimethylbutan-1-amine
CID 150995989
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
dimethoxy-[3-[1-(oxiran-2-yl)propan-2-yloxy]propyl]silane
CID 175095095
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine
CID 173014001
tris(5-dimethoxysilylpentyl)silane
CID 123895491
5-[methyl(oxiran-2-ylmethyl)amino]pentan-1-ol
CID 107198922
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine (CID 173013917) is 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine is CO[SiH](CCCCN(CC1CO1)CC1CO1)OC.
What is the InChIKey of 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine?
The InChIKey is PHUUQHCDZLQELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-14-18(15-2)6-4-3-5-13(7-11-9-16-11)8-12-10-17-12/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine?
4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 0.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 173013917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).