1-dimethoxysilylpentane-2,4-diamine

C7H20N2O2Si — CID 175182162

IUPAC1-dimethoxysilylpentane-2,4-diamine
SMILESCO[SiH](CC(N)CC(C)N)OC
InChIInChI=1S/C7H20N2O2Si/c1-6(8)4-7(9)5-12(10-2)11-3/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyXGJGPDXGGRRSJW-UHFFFAOYSA-N
MW192.34 g/mol
LogP-0.44
Rot. Bonds6

About 1-dimethoxysilylpentane-2,4-diamine

1-dimethoxysilylpentane-2,4-diamine (PubChem CID 175182162) has the molecular formula C7H20N2O2Si and a molecular weight of 192.34 g/mol. Its IUPAC name is 1-dimethoxysilylpentane-2,4-diamine.

Molecular Properties

Compound Name1-dimethoxysilylpentane-2,4-diamine
PubChem CID175182162
Molecular FormulaC7H20N2O2Si
Molecular Weight192.34 g/mol
Exact Mass192.13
IUPAC Name1-dimethoxysilylpentane-2,4-diamine
SMILESCO[SiH](CC(N)CC(C)N)OC
InChIInChI=1S/C7H20N2O2Si/c1-6(8)4-7(9)5-12(10-2)11-3/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyXGJGPDXGGRRSJW-UHFFFAOYSA-N
XLogP-0.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.34
LogP ≤ 5-0.44
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

nonane-2,4,6,8-tetramine
CID 142330039
(2S,4R)-7,7-dimethoxyheptane-2,4-diamine
CID 11229262
1-dimethoxysilyl-5-phenylpentan-2-amine
CID 174935526
1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 173380907
5-dimethoxysilylpentane-1,3-diamine
CID 123921736
4-(4-aminopentan-2-yloxy)pentan-2-amine
CID 22012872
dimethoxy(pentyl)silane;propan-2-amine
CID 175239274
hept-6-yne-2,4-diamine
CID 87584005
6,6,6-trifluorohexane-2,4-diamine
CID 118321950
6-dimethoxysilylhexane-1,3-diamine
CID 123164689
1-dimethoxysilylpropan-2-yl prop-2-enoate
CID 152752874
4,6-dimethylnonane-2,8-diamine
CID 59264321

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxysilylpentane-2,4-diamine?
The IUPAC name of 1-dimethoxysilylpentane-2,4-diamine (CID 175182162) is 1-dimethoxysilylpentane-2,4-diamine.
What is the SMILES notation for 1-dimethoxysilylpentane-2,4-diamine?
The canonical SMILES for 1-dimethoxysilylpentane-2,4-diamine is CO[SiH](CC(N)CC(C)N)OC.
What is the InChIKey of 1-dimethoxysilylpentane-2,4-diamine?
The InChIKey is XGJGPDXGGRRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N2O2Si/c1-6(8)4-7(9)5-12(10-2)11-3/h6-7,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-dimethoxysilylpentane-2,4-diamine?
1-dimethoxysilylpentane-2,4-diamine has a molecular weight of 192.34 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxysilylpentane-2,4-diamine is sourced from PubChem (CID 175182162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).