3-trimethoxysilylpentane-1,4-diamine

C8H22N2O3Si — CID 18387104

IUPAC3-trimethoxysilylpentane-1,4-diamine
SMILESCO[Si](OC)(OC)C(CCN)C(C)N
InChIInChI=1S/C8H22N2O3Si/c1-7(10)8(5-6-9)14(11-2,12-3)13-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyYFBFTYOHSBVSKO-UHFFFAOYSA-N
MW222.36 g/mol
LogP-0.07
Rot. Bonds7

About 3-trimethoxysilylpentane-1,4-diamine

3-trimethoxysilylpentane-1,4-diamine (PubChem CID 18387104) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-trimethoxysilylpentane-1,4-diamine.

Molecular Properties

Compound Name3-trimethoxysilylpentane-1,4-diamine
PubChem CID18387104
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC Name3-trimethoxysilylpentane-1,4-diamine
SMILESCO[Si](OC)(OC)C(CCN)C(C)N
InChIInChI=1S/C8H22N2O3Si/c1-7(10)8(5-6-9)14(11-2,12-3)13-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyYFBFTYOHSBVSKO-UHFFFAOYSA-N
XLogP-0.07
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-trimethoxysilylpentane-1,4-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

(4R)-3-trimethoxysilylpentane-1,4-diamine
CID 174577695
3-[dimethoxy(methyl)silyl]hexane-1,4-diamine
CID 175427853
3-methyl-6-trimethoxysilylhexane-1,4-diamine
CID 175289204
pentane-1,3,4-triamine
CID 18366520
3-(methoxymethyl)-4,4-dimethylpentan-1-amine
CID 115012519
2-methyl-1-trimethoxysilylbutane-1,3-diamine
CID 174876131
N'-(1-trimethoxysilylethyl)ethane-1,2-diamine
CID 21267592
[dimethoxy(propan-2-yl)silyl]oxymethanamine
CID 154110052
3-trimethoxysilyltetradecan-1-amine
CID 22997270
5-[methoxy(dimethyl)silyl]pentane-1,3-diamine
CID 87772527
N'-(2-aminoethyl)-3-trimethoxysilylhexane-1,6-diamine
CID 91312483
4-methoxy-3-(methoxymethyl)butan-1-amine
CID 130900208

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpentane-1,4-diamine?
The IUPAC name of 3-trimethoxysilylpentane-1,4-diamine (CID 18387104) is 3-trimethoxysilylpentane-1,4-diamine.
What is the SMILES notation for 3-trimethoxysilylpentane-1,4-diamine?
The canonical SMILES for 3-trimethoxysilylpentane-1,4-diamine is CO[Si](OC)(OC)C(CCN)C(C)N.
What is the InChIKey of 3-trimethoxysilylpentane-1,4-diamine?
The InChIKey is YFBFTYOHSBVSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-7(10)8(5-6-9)14(11-2,12-3)13-4/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 3-trimethoxysilylpentane-1,4-diamine?
3-trimethoxysilylpentane-1,4-diamine has a molecular weight of 222.36 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpentane-1,4-diamine is sourced from PubChem (CID 18387104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).