2-chloro-N,4-dimethyl-3-silylhexan-3-amine

C8H20ClNSi — CID 173065106

IUPAC2-chloro-N,4-dimethyl-3-silylhexan-3-amine
SMILESCCC(C)C([SiH3])(NC)C(C)Cl
InChIInChI=1S/C8H20ClNSi/c1-5-6(2)8(11,10-4)7(3)9/h6-7,10H,5H2,1-4,11H3
InChIKeyJJRCEIGGPIUYMV-UHFFFAOYSA-N
MW193.79 g/mol
LogP0.94
Rot. Bonds4

About 2-chloro-N,4-dimethyl-3-silylhexan-3-amine

2-chloro-N,4-dimethyl-3-silylhexan-3-amine (PubChem CID 173065106) has the molecular formula C8H20ClNSi and a molecular weight of 193.79 g/mol. Its IUPAC name is 2-chloro-N,4-dimethyl-3-silylhexan-3-amine.

Molecular Properties

Compound Name2-chloro-N,4-dimethyl-3-silylhexan-3-amine
PubChem CID173065106
Molecular FormulaC8H20ClNSi
Molecular Weight193.79 g/mol
Exact Mass193.11
IUPAC Name2-chloro-N,4-dimethyl-3-silylhexan-3-amine
SMILESCCC(C)C([SiH3])(NC)C(C)Cl
InChIInChI=1S/C8H20ClNSi/c1-5-6(2)8(11,10-4)7(3)9/h6-7,10H,5H2,1-4,11H3
InChIKeyJJRCEIGGPIUYMV-UHFFFAOYSA-N
XLogP0.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.79
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N',2-trimethyl-1-silylbutane-1,1-diamine
CID 173002241
2-cyclobutyl-N,3-dimethylpentan-2-amine
CID 155373866
1-chloro-N,N,2-trimethyl-1-silylbutan-1-amine
CID 173059522
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
methyl 2,3-dimethyl-2-silylpentanoate
CID 173470080
2-chlorobutane;silane
CID 174414093
3,4-diethyl-4,5-dimethylheptane
CID 57491367
N,4,5,5,6-pentamethyloctan-2-amine
CID 152877979
2,3-dimethylpentane-2-thiol
CID 90985123
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
1-chloropropylphosphane;hydrochloride
CID 174764459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethyl-3-silylhexan-3-amine?
The IUPAC name of 2-chloro-N,4-dimethyl-3-silylhexan-3-amine (CID 173065106) is 2-chloro-N,4-dimethyl-3-silylhexan-3-amine.
What is the SMILES notation for 2-chloro-N,4-dimethyl-3-silylhexan-3-amine?
The canonical SMILES for 2-chloro-N,4-dimethyl-3-silylhexan-3-amine is CCC(C)C([SiH3])(NC)C(C)Cl.
What is the InChIKey of 2-chloro-N,4-dimethyl-3-silylhexan-3-amine?
The InChIKey is JJRCEIGGPIUYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20ClNSi/c1-5-6(2)8(11,10-4)7(3)9/h6-7,10H,5H2,1-4,11H3.
What are the key properties of 2-chloro-N,4-dimethyl-3-silylhexan-3-amine?
2-chloro-N,4-dimethyl-3-silylhexan-3-amine has a molecular weight of 193.79 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethyl-3-silylhexan-3-amine is sourced from PubChem (CID 173065106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).