1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine

C9H26N4O2Si — CID 173120375

IUPAC1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine
SMILESCO[SiH](CCC(NCCN)NCCN)OC
InChIInChI=1S/C9H26N4O2Si/c1-14-16(15-2)8-3-9(12-6-4-10)13-7-5-11/h9,12-13,16H,3-8,10-11H2,1-2H3
InChIKeyBOBPXVWHDLWIOE-UHFFFAOYSA-N
MW250.42 g/mol
LogP-1.69
Rot. Bonds11

About 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine

1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine (PubChem CID 173120375) has the molecular formula C9H26N4O2Si and a molecular weight of 250.42 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine
PubChem CID173120375
Molecular FormulaC9H26N4O2Si
Molecular Weight250.42 g/mol
Exact Mass250.18
IUPAC Name1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine
SMILESCO[SiH](CCC(NCCN)NCCN)OC
InChIInChI=1S/C9H26N4O2Si/c1-14-16(15-2)8-3-9(12-6-4-10)13-7-5-11/h9,12-13,16H,3-8,10-11H2,1-2H3
InChIKeyBOBPXVWHDLWIOE-UHFFFAOYSA-N
XLogP-1.69
TPSA94.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-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

1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992
5-dimethoxysilylpentane-1,3-diamine
CID 123921736
4-dimethoxysilyl-2-methylbutan-1-amine
CID 154298922
dimethoxy(3-methylbutyl)silane;ethanamine
CID 173025352
N'-(2-dimethoxysilylethyl)propane-1,3-diamine
CID 161288422
6-dimethoxysilylhexane-1,3-diamine
CID 123164689
N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine
CID 173372192
N'-(4-dimethoxysilylbutyl)methanediamine
CID 173036539
N'-(1-trimethoxysilylethyl)ethane-1,2-diamine
CID 21267592
N'-(1-diethoxysilylbutan-2-yl)ethane-1,2-diamine
CID 173106789
2-N-(2-aminoethyl)-5-trimethoxysilylpentane-1,2-diamine
CID 87271772
1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
CID 18720683

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine (CID 173120375) is 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine is CO[SiH](CCC(NCCN)NCCN)OC.
What is the InChIKey of 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine?
The InChIKey is BOBPXVWHDLWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26N4O2Si/c1-14-16(15-2)8-3-9(12-6-4-10)13-7-5-11/h9,12-13,16H,3-8,10-11H2,1-2H3.
What are the key properties of 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine?
1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine has a molecular weight of 250.42 g/mol, XLogP of -1.69, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine is sourced from PubChem (CID 173120375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).