N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine

C17H40N2O3Si — CID 18366419

IUPACN'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine
SMILESCCC(C)O[Si](CCCNCCN)(OC(C)CC)OC(C)CC
InChIInChI=1S/C17H40N2O3Si/c1-7-15(4)20-23(21-16(5)8-2,22-17(6)9-3)14-10-12-19-13-11-18/h15-17,19H,7-14,18H2,1-6H3
InChIKeyXYRLXKVOGUCZAX-UHFFFAOYSA-N
MW348.60 g/mol
LogP3.31
Rot. Bonds15

About N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine

N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine (PubChem CID 18366419) has the molecular formula C17H40N2O3Si and a molecular weight of 348.60 g/mol. Its IUPAC name is N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine
PubChem CID18366419
Molecular FormulaC17H40N2O3Si
Molecular Weight348.60 g/mol
Exact Mass348.28
IUPAC NameN'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine
SMILESCCC(C)O[Si](CCCNCCN)(OC(C)CC)OC(C)CC
InChIInChI=1S/C17H40N2O3Si/c1-7-15(4)20-23(21-16(5)8-2,22-17(6)9-3)14-10-12-19-13-11-18/h15-17,19H,7-14,18H2,1-6H3
InChIKeyXYRLXKVOGUCZAX-UHFFFAOYSA-N
XLogP3.31
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine 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'-[2-tri(propan-2-yloxy)silylethyl]ethane-1,2-diamine
CID 140707750
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine
CID 124824872
di(butan-2-yloxy)-butyl-methoxysilane
CID 71349639
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-[tri(propan-2-yloxy)silylmethyl]ethane-1,2-diamine
CID 87514927

Frequently Asked Questions

What is the IUPAC name of N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine (CID 18366419) is N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine is CCC(C)O[Si](CCCNCCN)(OC(C)CC)OC(C)CC.
What is the InChIKey of N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine?
The InChIKey is XYRLXKVOGUCZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N2O3Si/c1-7-15(4)20-23(21-16(5)8-2,22-17(6)9-3)14-10-12-19-13-11-18/h15-17,19H,7-14,18H2,1-6H3.
What are the key properties of N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine?
N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine has a molecular weight of 348.60 g/mol, XLogP of 3.31, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 18366419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).