3-[dimethoxy(methyl)silyl]hexane-1,4-diamine

C9H24N2O2Si — CID 175427853

IUPAC3-[dimethoxy(methyl)silyl]hexane-1,4-diamine
SMILESCCC(N)C(CCN)[Si](C)(OC)OC
InChIInChI=1S/C9H24N2O2Si/c1-5-8(11)9(6-7-10)14(4,12-2)13-3/h8-9H,5-7,10-11H2,1-4H3
InChIKeyHUUIGGCJSVVQFM-UHFFFAOYSA-N
MW220.39 g/mol
LogP0.81
Rot. Bonds7

About 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine

3-[dimethoxy(methyl)silyl]hexane-1,4-diamine (PubChem CID 175427853) has the molecular formula C9H24N2O2Si and a molecular weight of 220.39 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]hexane-1,4-diamine
PubChem CID175427853
Molecular FormulaC9H24N2O2Si
Molecular Weight220.39 g/mol
Exact Mass220.16
IUPAC Name3-[dimethoxy(methyl)silyl]hexane-1,4-diamine
SMILESCCC(N)C(CCN)[Si](C)(OC)OC
InChIInChI=1S/C9H24N2O2Si/c1-5-8(11)9(6-7-10)14(4,12-2)13-3/h8-9H,5-7,10-11H2,1-4H3
InChIKeyHUUIGGCJSVVQFM-UHFFFAOYSA-N
XLogP0.81
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[methoxy(dimethyl)silyl]pentan-1-amine
CID 174756511
3-trimethoxysilylpentane-1,4-diamine
CID 18387104
(4R)-3-trimethoxysilylpentane-1,4-diamine
CID 174577695
1-[dimethoxy(methyl)silyl]pentane-1,5-diamine
CID 87701817
(4S)-1,4-diaminohexan-3-ol
CID 149307886
5-[methoxy(dimethyl)silyl]pentane-1,3-diamine
CID 87772527
3-methyl-6-trimethoxysilylhexane-1,4-diamine
CID 175289204
1-[dimethoxy(methyl)silyl]propan-1-ol;methanamine
CID 174776432
[4-[dimethoxy(methyl)silyl]-1-ethyl-2-methylhexyl]-dimethoxy-methylsilane
CID 173062430
2-(trimethoxysilylmethyl)pentane-1,3-diamine
CID 87209337
1-[dimethoxy(methyl)silyl]heptan-1-amine
CID 174514624
hexane-3,4-diamine
CID 12656175

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine?
The IUPAC name of 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine (CID 175427853) is 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine is CCC(N)C(CCN)[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine?
The InChIKey is HUUIGGCJSVVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O2Si/c1-5-8(11)9(6-7-10)14(4,12-2)13-3/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine?
3-[dimethoxy(methyl)silyl]hexane-1,4-diamine has a molecular weight of 220.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]hexane-1,4-diamine is sourced from PubChem (CID 175427853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).