4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine

C12H28ClNSi — CID 123214615

IUPAC4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine
SMILESCCCC[SiH2]CCCC(Cl)N(CC)CC
InChIInChI=1S/C12H28ClNSi/c1-4-7-10-15-11-8-9-12(13)14(5-2)6-3/h12H,4-11,15H2,1-3H3
InChIKeyCNESZUHXZKNRSC-UHFFFAOYSA-N
MW249.90 g/mol
LogP3.48
Rot. Bonds10

About 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine

4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine (PubChem CID 123214615) has the molecular formula C12H28ClNSi and a molecular weight of 249.90 g/mol. Its IUPAC name is 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine
PubChem CID123214615
Molecular FormulaC12H28ClNSi
Molecular Weight249.90 g/mol
Exact Mass249.17
IUPAC Name4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine
SMILESCCCC[SiH2]CCCC(Cl)N(CC)CC
InChIInChI=1S/C12H28ClNSi/c1-4-7-10-15-11-8-9-12(13)14(5-2)6-3/h12H,4-11,15H2,1-3H3
InChIKeyCNESZUHXZKNRSC-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.90
LogP ≤ 53.48
H-Bond Donors ≤ 50
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl(3-butylsilylpropyl)silane
CID 123413322
dibutylsilane;hydrofluoride
CID 174699243
4-butylsilyl-1-N,1-N'-dimethylbutane-1,1-diamine
CID 123623936
N-butylsilyl-N',N',N",N"-tetraethylmethanetriamine
CID 123141475
4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
CID 123229038
1-chloro-N-ethyl-N-methylhexadecan-1-amine
CID 174395763
1-chloro-N,N-dimethylpentadecan-1-amine
CID 165176511
1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine
CID 87994889
1-N,1-N,1-N',1-N'-tetraethyl-4-methylsilylbutane-1,1-diamine
CID 123426756
N,N-diethyltridecan-4-amine
CID 159822270
1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine
CID 57473325
hexyl(propyl)silane
CID 123901790

Frequently Asked Questions

What is the IUPAC name of 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine?
The IUPAC name of 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine (CID 123214615) is 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine is CCCC[SiH2]CCCC(Cl)N(CC)CC.
What is the InChIKey of 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine?
The InChIKey is CNESZUHXZKNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28ClNSi/c1-4-7-10-15-11-8-9-12(13)14(5-2)6-3/h12H,4-11,15H2,1-3H3.
What are the key properties of 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine?
4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine has a molecular weight of 249.90 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsilyl-1-chloro-N,N-diethylbutan-1-amine is sourced from PubChem (CID 123214615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).