N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine

C20H47N3O3Si — CID 140647338

IUPACN,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine
SMILESCCCN(C)CC(CN(C)CCC)(CN(C)CCC)C[Si](OC)(OC)OC
InChIInChI=1S/C20H47N3O3Si/c1-10-13-21(4)16-20(17-22(5)14-11-2,18-23(6)15-12-3)19-27(24-7,25-8)26-9/h10-19H2,1-9H3
InChIKeyHTSIQBZIZMFBMR-UHFFFAOYSA-N
MW405.70 g/mol
LogP2.88
Rot. Bonds17

About N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine

N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine (PubChem CID 140647338) has the molecular formula C20H47N3O3Si and a molecular weight of 405.70 g/mol. Its IUPAC name is N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine
PubChem CID140647338
Molecular FormulaC20H47N3O3Si
Molecular Weight405.70 g/mol
Exact Mass405.34
IUPAC NameN,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine
SMILESCCCN(C)CC(CN(C)CCC)(CN(C)CCC)C[Si](OC)(OC)OC
InChIInChI=1S/C20H47N3O3Si/c1-10-13-21(4)16-20(17-22(5)14-11-2,18-23(6)15-12-3)19-27(24-7,25-8)26-9/h10-19H2,1-9H3
InChIKeyHTSIQBZIZMFBMR-UHFFFAOYSA-N
XLogP2.88
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine (CID 140647338) is N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine is CCCN(C)CC(CN(C)CCC)(CN(C)CCC)C[Si](OC)(OC)OC.
What is the InChIKey of N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine?
The InChIKey is HTSIQBZIZMFBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47N3O3Si/c1-10-13-21(4)16-20(17-22(5)14-11-2,18-23(6)15-12-3)19-27(24-7,25-8)26-9/h10-19H2,1-9H3.
What are the key properties of N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine?
N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine has a molecular weight of 405.70 g/mol, XLogP of 2.88, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-[[methyl(propyl)amino]methyl]-N,N'-dipropyl-2-(trimethoxysilylmethyl)propane-1,3-diamine is sourced from PubChem (CID 140647338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).