4-chlorobutan-1-amine;dimethylsilane

C6H18ClNSi — CID 158259243

IUPAC4-chlorobutan-1-amine;dimethylsilane
SMILESC[SiH2]C.NCCCCCl
InChIInChI=1S/C4H10ClN.C2H8Si/c5-3-1-2-4-6;1-3-2/h1-4,6H2;3H2,1-2H3
InChIKeyGHRDXDJZYUEOCC-UHFFFAOYSA-N
MW167.76 g/mol
LogP1.22
Rot. Bonds3

About 4-chlorobutan-1-amine;dimethylsilane

4-chlorobutan-1-amine;dimethylsilane (PubChem CID 158259243) has the molecular formula C6H18ClNSi and a molecular weight of 167.76 g/mol. Its IUPAC name is 4-chlorobutan-1-amine;dimethylsilane.

Molecular Properties

Compound Name4-chlorobutan-1-amine;dimethylsilane
PubChem CID158259243
Molecular FormulaC6H18ClNSi
Molecular Weight167.76 g/mol
Exact Mass167.09
IUPAC Name4-chlorobutan-1-amine;dimethylsilane
SMILESC[SiH2]C.NCCCCCl
InChIInChI=1S/C4H10ClN.C2H8Si/c5-3-1-2-4-6;1-3-2/h1-4,6H2;3H2,1-2H3
InChIKeyGHRDXDJZYUEOCC-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.76
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174805290
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hexane-1,6-diamine;methanamine
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12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine
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5-methylsilylpentan-1-amine
CID 175183110
dichloromethane;tetradecan-1-amine
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CID 155315822
azane;butane-1,4-diamine
CID 87378889
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
octatriacontane-1,38-diamine
CID 54235792
butane-1,4-diamine;europium
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N'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580

Frequently Asked Questions

What is the IUPAC name of 4-chlorobutan-1-amine;dimethylsilane?
The IUPAC name of 4-chlorobutan-1-amine;dimethylsilane (CID 158259243) is 4-chlorobutan-1-amine;dimethylsilane.
What is the SMILES notation for 4-chlorobutan-1-amine;dimethylsilane?
The canonical SMILES for 4-chlorobutan-1-amine;dimethylsilane is C[SiH2]C.NCCCCCl.
What is the InChIKey of 4-chlorobutan-1-amine;dimethylsilane?
The InChIKey is GHRDXDJZYUEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.C2H8Si/c5-3-1-2-4-6;1-3-2/h1-4,6H2;3H2,1-2H3.
What are the key properties of 4-chlorobutan-1-amine;dimethylsilane?
4-chlorobutan-1-amine;dimethylsilane has a molecular weight of 167.76 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutan-1-amine;dimethylsilane is sourced from PubChem (CID 158259243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).