N-[3-(silyltrisulfanyl)propyl]butan-1-amine

C7H19NS3Si — CID 175955098

IUPACN-[3-(silyltrisulfanyl)propyl]butan-1-amine
SMILESCCCCNCCCSSS[SiH3]
InChIInChI=1S/C7H19NS3Si/c1-2-3-5-8-6-4-7-9-10-11-12/h8H,2-7H2,1,12H3
InChIKeyUTFWKIGHUPTGFA-UHFFFAOYSA-N
MW241.52 g/mol
LogP2.08
Rot. Bonds9

About N-[3-(silyltrisulfanyl)propyl]butan-1-amine

N-[3-(silyltrisulfanyl)propyl]butan-1-amine (PubChem CID 175955098) has the molecular formula C7H19NS3Si and a molecular weight of 241.52 g/mol. Its IUPAC name is N-[3-(silyltrisulfanyl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-(silyltrisulfanyl)propyl]butan-1-amine
PubChem CID175955098
Molecular FormulaC7H19NS3Si
Molecular Weight241.52 g/mol
Exact Mass241.04
IUPAC NameN-[3-(silyltrisulfanyl)propyl]butan-1-amine
SMILESCCCCNCCCSSS[SiH3]
InChIInChI=1S/C7H19NS3Si/c1-2-3-5-8-6-4-7-9-10-11-12/h8H,2-7H2,1,12H3
InChIKeyUTFWKIGHUPTGFA-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butylbutan-1-amine;hydrochloride
CID 3083954
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-[2-(3-methoxypropyldisulfanyl)ethyl]butan-1-amine
CID 158207696
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
1-(hexyltrisulfanyl)octadecane
CID 140815608
N-butylbutan-1-amine;propan-1-ol
CID 174657089
N-(silylmethyl)butan-1-amine
CID 123797208
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278

Frequently Asked Questions

What is the IUPAC name of N-[3-(silyltrisulfanyl)propyl]butan-1-amine?
The IUPAC name of N-[3-(silyltrisulfanyl)propyl]butan-1-amine (CID 175955098) is N-[3-(silyltrisulfanyl)propyl]butan-1-amine.
What is the SMILES notation for N-[3-(silyltrisulfanyl)propyl]butan-1-amine?
The canonical SMILES for N-[3-(silyltrisulfanyl)propyl]butan-1-amine is CCCCNCCCSSS[SiH3].
What is the InChIKey of N-[3-(silyltrisulfanyl)propyl]butan-1-amine?
The InChIKey is UTFWKIGHUPTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NS3Si/c1-2-3-5-8-6-4-7-9-10-11-12/h8H,2-7H2,1,12H3.
What are the key properties of N-[3-(silyltrisulfanyl)propyl]butan-1-amine?
N-[3-(silyltrisulfanyl)propyl]butan-1-amine has a molecular weight of 241.52 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(silyltrisulfanyl)propyl]butan-1-amine is sourced from PubChem (CID 175955098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).