4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine

C12H20ClNSi — CID 154509431

IUPAC4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCC[SiH](Cl)c1ccccc1
InChIInChI=1S/C12H20ClNSi/c1-14(2)10-6-7-11-15(13)12-8-4-3-5-9-12/h3-5,8-9,15H,6-7,10-11H2,1-2H3
InChIKeyNFGYKZUDBHLIAW-UHFFFAOYSA-N
MW241.84 g/mol
LogP2.20
Rot. Bonds6

About 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine

4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine (PubChem CID 154509431) has the molecular formula C12H20ClNSi and a molecular weight of 241.84 g/mol. Its IUPAC name is 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine
PubChem CID154509431
Molecular FormulaC12H20ClNSi
Molecular Weight241.84 g/mol
Exact Mass241.11
IUPAC Name4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCC[SiH](Cl)c1ccccc1
InChIInChI=1S/C12H20ClNSi/c1-14(2)10-6-7-11-15(13)12-8-4-3-5-9-12/h3-5,8-9,15H,6-7,10-11H2,1-2H3
InChIKeyNFGYKZUDBHLIAW-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.84
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
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N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
11-chloro-N,N-dimethyl-11-phenylundecan-1-amine
CID 54460837
benzoic acid;bis(N,N-dimethyldodecan-1-amine);hydrochloride
CID 175115715
4-dihydroxysilyl-N,N-dimethylbutan-1-amine
CID 174146136
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
6-chlorohexyl-methyl-phenylsilane
CID 57348270
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine (CID 154509431) is 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine is CN(C)CCCC[SiH](Cl)c1ccccc1.
What is the InChIKey of 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine?
The InChIKey is NFGYKZUDBHLIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNSi/c1-14(2)10-6-7-11-15(13)12-8-4-3-5-9-12/h3-5,8-9,15H,6-7,10-11H2,1-2H3.
What are the key properties of 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine?
4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine has a molecular weight of 241.84 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(phenyl)silyl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 154509431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).