N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine

C27H61N3O3Si — CID 142718319

IUPACN,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
SMILESCCCN(CC)CCC(CCN(CC)CCC)(CCN(CC)CCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C27H61N3O3Si/c1-10-20-28(13-4)23-16-27(17-24-29(14-5)21-11-2,18-25-30(15-6)22-12-3)19-26-34(31-7,32-8)33-9/h10-26H2,1-9H3
InChIKeyVWSBXBJWZSDCOC-UHFFFAOYSA-N
MW503.89 g/mol
LogP5.61
Rot. Bonds24

About N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine

N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine (PubChem CID 142718319) has the molecular formula C27H61N3O3Si and a molecular weight of 503.89 g/mol. Its IUPAC name is N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
PubChem CID142718319
Molecular FormulaC27H61N3O3Si
Molecular Weight503.89 g/mol
Exact Mass503.45
IUPAC NameN,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine
SMILESCCCN(CC)CCC(CCN(CC)CCC)(CCN(CC)CCC)CC[Si](OC)(OC)OC
InChIInChI=1S/C27H61N3O3Si/c1-10-20-28(13-4)23-16-27(17-24-29(14-5)21-11-2,18-25-30(15-6)22-12-3)19-26-34(31-7,32-8)33-9/h10-26H2,1-9H3
InChIKeyVWSBXBJWZSDCOC-UHFFFAOYSA-N
XLogP5.61
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.89
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718377
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-(2-trimethoxysilylethyl)heptane-1,7-diamine
CID 140647245
3-[2-(dipropylamino)ethyl]-N,N,N',N'-tetrapropyl-3-(2-triethoxysilylethyl)pentane-1,5-diamine
CID 142718234
3-[2-(dipropylamino)ethyl]-3-[2-[methoxy(dimethyl)silyl]ethyl]-N,N,N',N'-tetrapropylpentane-1,5-diamine
CID 142718275
N,N'-diethyl-4-[3-[ethyl(propyl)amino]propyl]-N,N'-dipropyl-4-(trimethoxysilylmethyl)heptane-1,7-diamine
CID 140647551
N,N'-diethyl-3-[[ethyl(dimethoxy)silyl]methyl]-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropylpentane-1,5-diamine
CID 142718352
3-[2-[diethoxy(ethyl)silyl]ethyl]-3-[2-(diethylamino)ethyl]-N,N,N',N'-tetraethylpentane-1,5-diamine
CID 142718312
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[methoxy(dimethyl)silyl]ethyl]heptane-1,7-diamine
CID 140647664
4-[3-(diethylamino)propyl]-N,N,N',N'-tetraethyl-4-[2-[ethyl(dimethoxy)silyl]ethyl]heptane-1,7-diamine
CID 140647478
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine (CID 142718319) is N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine is CCCN(CC)CCC(CCN(CC)CCC)(CCN(CC)CCC)CC[Si](OC)(OC)OC.
What is the InChIKey of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine?
The InChIKey is VWSBXBJWZSDCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61N3O3Si/c1-10-20-28(13-4)23-16-27(17-24-29(14-5)21-11-2,18-25-30(15-6)22-12-3)19-26-34(31-7,32-8)33-9/h10-26H2,1-9H3.
What are the key properties of N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine?
N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine has a molecular weight of 503.89 g/mol, XLogP of 5.61, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-3-[2-[ethyl(propyl)amino]ethyl]-N,N'-dipropyl-3-(2-trimethoxysilylethyl)pentane-1,5-diamine is sourced from PubChem (CID 142718319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).