3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)

C41H96N4O4Si2 — CID 159692007

IUPAC3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)
SMILESCCCN(CC)CC.CCCN(CC)CC.CCCO[Si](CCCN(CC)CC)(C[Si](CCCN(CC)CC)(OCCC)OCCC)OCCC
InChIInChI=1S/C27H62N2O4Si2.2C7H17N/c1-9-21-30-34(31-22-10-2,25-17-19-28(13-5)14-6)27-35(32-23-11-3,33-24-12-4)26-18-20-29(15-7)16-8;2*1-4-7-8(5-2)6-3/h9-27H2,1-8H3;2*4-7H2,1-3H3
InChIKeyMWNPAWLEHOMCSS-UHFFFAOYSA-N
MW765.41 g/mol
LogP10.06
Rot. Bonds34

About 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)

3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine) (PubChem CID 159692007) has the molecular formula C41H96N4O4Si2 and a molecular weight of 765.41 g/mol. Its IUPAC name is 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine).

Molecular Properties

Compound Name3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)
PubChem CID159692007
Molecular FormulaC41H96N4O4Si2
Molecular Weight765.41 g/mol
Exact Mass764.70
IUPAC Name3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)
SMILESCCCN(CC)CC.CCCN(CC)CC.CCCO[Si](CCCN(CC)CC)(C[Si](CCCN(CC)CC)(OCCC)OCCC)OCCC
InChIInChI=1S/C27H62N2O4Si2.2C7H17N/c1-9-21-30-34(31-22-10-2,25-17-19-28(13-5)14-6)27-35(32-23-11-3,33-24-12-4)26-18-20-29(15-7)16-8;2*1-4-7-8(5-2)6-3/h9-27H2,1-8H3;2*4-7H2,1-3H3
InChIKeyMWNPAWLEHOMCSS-UHFFFAOYSA-N
XLogP10.06
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.41
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[diethoxy(ethyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647627
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
ethyl-[[ethyl(dipropoxy)silyl]methyl]-dipropoxysilane
CID 87143890
3-[ethoxy(dimethyl)silyl]-N,N-dipropylpropan-1-amine
CID 87204397
N,N-diethylpropan-1-amine;methane
CID 144711865
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
N'-[3-[diethyl(methoxy)silyl]propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647738
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
decyl-dipropoxy-propylsilane
CID 22228664
ethyl-hexadecyl-dipropoxysilane
CID 22228686

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)?
The IUPAC name of 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine) (CID 159692007) is 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine).
What is the SMILES notation for 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)?
The canonical SMILES for 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine) is CCCN(CC)CC.CCCN(CC)CC.CCCO[Si](CCCN(CC)CC)(C[Si](CCCN(CC)CC)(OCCC)OCCC)OCCC.
What is the InChIKey of 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)?
The InChIKey is MWNPAWLEHOMCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H62N2O4Si2.2C7H17N/c1-9-21-30-34(31-22-10-2,25-17-19-28(13-5)14-6)27-35(32-23-11-3,33-24-12-4)26-18-20-29(15-7)16-8;2*1-4-7-8(5-2)6-3/h9-27H2,1-8H3;2*4-7H2,1-3H3.
What are the key properties of 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)?
3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine) has a molecular weight of 765.41 g/mol, XLogP of 10.06, 34 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine) is sourced from PubChem (CID 159692007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).