3-dimethoxysilylhexane-2,4-diamine

C8H22N2O2Si — CID 173089396

IUPAC3-dimethoxysilylhexane-2,4-diamine
SMILESCCC(N)C(C(C)N)[SiH](OC)OC
InChIInChI=1S/C8H22N2O2Si/c1-5-7(10)8(6(2)9)13(11-3)12-4/h6-8,13H,5,9-10H2,1-4H3
InChIKeyAAPVKVCUUXMEKD-UHFFFAOYSA-N
MW206.36 g/mol
LogP-0.05
Rot. Bonds6

About 3-dimethoxysilylhexane-2,4-diamine

3-dimethoxysilylhexane-2,4-diamine (PubChem CID 173089396) has the molecular formula C8H22N2O2Si and a molecular weight of 206.36 g/mol. Its IUPAC name is 3-dimethoxysilylhexane-2,4-diamine.

Molecular Properties

Compound Name3-dimethoxysilylhexane-2,4-diamine
PubChem CID173089396
Molecular FormulaC8H22N2O2Si
Molecular Weight206.36 g/mol
Exact Mass206.15
IUPAC Name3-dimethoxysilylhexane-2,4-diamine
SMILESCCC(N)C(C(C)N)[SiH](OC)OC
InChIInChI=1S/C8H22N2O2Si/c1-5-7(10)8(6(2)9)13(11-3)12-4/h6-8,13H,5,9-10H2,1-4H3
InChIKeyAAPVKVCUUXMEKD-UHFFFAOYSA-N
XLogP-0.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 5-0.05
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-dimethoxysilylbutan-2-amine
CID 173222446
butan-2-yl(dimethoxy)silane;propane
CID 173302238
hexane-3,4-diamine
CID 12656175
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
1,1-dimethoxybutan-2-amine;hydrochloride
CID 86775568
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
2-propan-2-ylsulfanylpentan-3-amine
CID 64633850
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
4-methylhexane-2,3-diamine
CID 123983512
3-(methoxymethyl)pentan-2-amine
CID 66437856
3-(2-aminopentan-3-yloxy)pentan-2-amine
CID 175582089

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylhexane-2,4-diamine?
The IUPAC name of 3-dimethoxysilylhexane-2,4-diamine (CID 173089396) is 3-dimethoxysilylhexane-2,4-diamine.
What is the SMILES notation for 3-dimethoxysilylhexane-2,4-diamine?
The canonical SMILES for 3-dimethoxysilylhexane-2,4-diamine is CCC(N)C(C(C)N)[SiH](OC)OC.
What is the InChIKey of 3-dimethoxysilylhexane-2,4-diamine?
The InChIKey is AAPVKVCUUXMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O2Si/c1-5-7(10)8(6(2)9)13(11-3)12-4/h6-8,13H,5,9-10H2,1-4H3.
What are the key properties of 3-dimethoxysilylhexane-2,4-diamine?
3-dimethoxysilylhexane-2,4-diamine has a molecular weight of 206.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylhexane-2,4-diamine is sourced from PubChem (CID 173089396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).