3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine

C19H39NO4Si — CID 66743968

IUPAC3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine
SMILESCCO[Si](CC)(CCCN(CC1CCCO1)CC1CCCO1)OCC
InChIInChI=1S/C19H39NO4Si/c1-4-23-25(6-3,24-5-2)15-9-12-20(16-18-10-7-13-21-18)17-19-11-8-14-22-19/h18-19H,4-17H2,1-3H3
InChIKeyXVPINBNEDNRPMB-UHFFFAOYSA-N
MW373.61 g/mol
LogP3.57
Rot. Bonds13

About 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine

3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 66743968) has the molecular formula C19H39NO4Si and a molecular weight of 373.61 g/mol. Its IUPAC name is 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine
PubChem CID66743968
Molecular FormulaC19H39NO4Si
Molecular Weight373.61 g/mol
Exact Mass373.26
IUPAC Name3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine
SMILESCCO[Si](CC)(CCCN(CC1CCCO1)CC1CCCO1)OCC
InChIInChI=1S/C19H39NO4Si/c1-4-23-25(6-3,24-5-2)15-9-12-20(16-18-10-7-13-21-18)17-19-11-8-14-22-19/h18-19H,4-17H2,1-3H3
InChIKeyXVPINBNEDNRPMB-UHFFFAOYSA-N
XLogP3.57
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
4-dimethoxysilyl-N,N-bis(oxolan-2-ylmethyl)pentan-1-amine
CID 173014007
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
bis[3-[diethoxy(ethyl)silyl]propyl]carbamic acid
CID 139778420
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
3-[heptyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82328774
dodecoxy-diethyl-(oxolan-2-ylmethoxy)silane
CID 91743336
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine (CID 66743968) is 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine is CCO[Si](CC)(CCCN(CC1CCCO1)CC1CCCO1)OCC.
What is the InChIKey of 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is XVPINBNEDNRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4Si/c1-4-23-25(6-3,24-5-2)15-9-12-20(16-18-10-7-13-21-18)17-19-11-8-14-22-19/h18-19H,4-17H2,1-3H3.
What are the key properties of 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine?
3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 373.61 g/mol, XLogP of 3.57, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(ethyl)silyl]-N,N-bis(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 66743968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).