1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine

C10H25NSSi — CID 88682467

IUPAC1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine
SMILESCC(N)SCCC[Si](C)(C)C(C)C
InChIInChI=1S/C10H25NSSi/c1-9(2)13(4,5)8-6-7-12-10(3)11/h9-10H,6-8,11H2,1-5H3
InChIKeyVCMATDGEADNSSA-UHFFFAOYSA-N
MW219.47 g/mol
LogP3.53
Rot. Bonds6

About 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine

1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine (PubChem CID 88682467) has the molecular formula C10H25NSSi and a molecular weight of 219.47 g/mol. Its IUPAC name is 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine.

Molecular Properties

Compound Name1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine
PubChem CID88682467
Molecular FormulaC10H25NSSi
Molecular Weight219.47 g/mol
Exact Mass219.15
IUPAC Name1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine
SMILESCC(N)SCCC[Si](C)(C)C(C)C
InChIInChI=1S/C10H25NSSi/c1-9(2)13(4,5)8-6-7-12-10(3)11/h9-10H,6-8,11H2,1-5H3
InChIKeyVCMATDGEADNSSA-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[dimethyl(propan-2-yl)silyl]ethanol
CID 87118939
1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane
CID 15793667
ethyl-dimethyl-propan-2-ylsilane
CID 54412637
1-butylsulfanylpropan-1-amine
CID 22096872
chloromethyl-dimethyl-propan-2-ylsilane
CID 55301844
6-butylsulfanylhexan-2-amine
CID 64611512
tert-butyl 2-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 142319380
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
1-(4-ethylphenyl)-2-(3-methoxypropylsulfanyl)propan-1-amine
CID 64626253
pentyl-tri(propan-2-yl)silane
CID 173095596
1-butan-2-ylsulfanylbutane
CID 525455
2-hexylsulfanylethyl(trimethyl)silane
CID 139795083

Frequently Asked Questions

What is the IUPAC name of 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
The IUPAC name of 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine (CID 88682467) is 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine.
What is the SMILES notation for 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
The canonical SMILES for 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine is CC(N)SCCC[Si](C)(C)C(C)C.
What is the InChIKey of 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
The InChIKey is VCMATDGEADNSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NSSi/c1-9(2)13(4,5)8-6-7-12-10(3)11/h9-10H,6-8,11H2,1-5H3.
What are the key properties of 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine?
1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine has a molecular weight of 219.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]ethanamine is sourced from PubChem (CID 88682467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).