N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine

C15H31NO5Si — CID 19379542

IUPACN,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CC1CO1)CC1CO1)(OCC)OCC
InChIInChI=1S/C15H31NO5Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-16(10-14-12-17-14)11-15-13-18-15/h14-15H,4-13H2,1-3H3
InChIKeySZTIJNQKKSEUSN-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.52
Rot. Bonds14

About N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine

N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine (PubChem CID 19379542) has the molecular formula C15H31NO5Si and a molecular weight of 333.50 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
PubChem CID19379542
Molecular FormulaC15H31NO5Si
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC NameN,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CC1CO1)CC1CO1)(OCC)OCC
InChIInChI=1S/C15H31NO5Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-16(10-14-12-17-14)11-15-13-18-15/h14-15H,4-13H2,1-3H3
InChIKeySZTIJNQKKSEUSN-UHFFFAOYSA-N
XLogP1.52
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine
CID 66743968
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
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-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine
CID 173013917
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503
ethyl N-[3-(oxiran-2-ylmethoxy)propyl]-N-(3-triethoxysilylpropyl)carbamate
CID 87376447

Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine (CID 19379542) is N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine is CCO[Si](CCCN(CC1CO1)CC1CO1)(OCC)OCC.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
The InChIKey is SZTIJNQKKSEUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5Si/c1-4-19-22(20-5-2,21-6-3)9-7-8-16(10-14-12-17-14)11-15-13-18-15/h14-15H,4-13H2,1-3H3.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine has a molecular weight of 333.50 g/mol, XLogP of 1.52, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 19379542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).