1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine

C9H22ClNSi — CID 173064950

IUPAC1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine
SMILESCCN(CC)C([SiH3])(Cl)C(C)(C)C
InChIInChI=1S/C9H22ClNSi/c1-6-11(7-2)9(10,12)8(3,4)5/h6-7H2,1-5,12H3
InChIKeyOCEXSVHEUOTYAN-UHFFFAOYSA-N
MW207.82 g/mol
LogP1.63
Rot. Bonds3

About 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine

1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine (PubChem CID 173064950) has the molecular formula C9H22ClNSi and a molecular weight of 207.82 g/mol. Its IUPAC name is 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine.

Molecular Properties

Compound Name1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine
PubChem CID173064950
Molecular FormulaC9H22ClNSi
Molecular Weight207.82 g/mol
Exact Mass207.12
IUPAC Name1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine
SMILESCCN(CC)C([SiH3])(Cl)C(C)(C)C
InChIInChI=1S/C9H22ClNSi/c1-6-11(7-2)9(10,12)8(3,4)5/h6-7H2,1-5,12H3
InChIKeyOCEXSVHEUOTYAN-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.82
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-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

1,1-dichloro-N,N-diethyl-2,2-dimethylpropan-1-amine
CID 10013395
1-chloro-N,N,2,2-tetramethyl-1-silylpropan-1-amine
CID 173064764
2-chloro-N,N-diethyl-1-silylpropan-2-amine
CID 173059259
1-chloro-N',N'-diethyl-N-methyl-1-silylmethanediamine
CID 173059034
1-chloro-1-ethoxy-N,N-diethylethanamine
CID 174431336
N,N-diethyl-2-methylpropan-2-amine;dimethylsilane
CID 173297747
2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
1-amino-1-(diethylamino)ethanol
CID 57324850
1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine
CID 173059522
1-N,1-N,1-N',1-N',1-N",1-N"-hexaethylpropane-1,1,1-triamine
CID 174059881
[ethyl(propyl)amino]methanetriol
CID 169119513
2-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 87329716

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine?
The IUPAC name of 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine (CID 173064950) is 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine.
What is the SMILES notation for 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine?
The canonical SMILES for 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine is CCN(CC)C([SiH3])(Cl)C(C)(C)C.
What is the InChIKey of 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine?
The InChIKey is OCEXSVHEUOTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22ClNSi/c1-6-11(7-2)9(10,12)8(3,4)5/h6-7H2,1-5,12H3.
What are the key properties of 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine?
1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine has a molecular weight of 207.82 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-diethyl-2,2-dimethyl-1-silylpropan-1-amine is sourced from PubChem (CID 173064950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).