N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine

C9H19NS — CID 156751270

IUPACN-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine
SMILESC=CN(CC)CCCSCC
InChIInChI=1S/C9H19NS/c1-4-10(5-2)8-7-9-11-6-3/h4H,1,5-9H2,2-3H3
InChIKeyYKLOIOLHQBHGHJ-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.60
Rot. Bonds7

About N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine

N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine (PubChem CID 156751270) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine
PubChem CID156751270
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine
SMILESC=CN(CC)CCCSCC
InChIInChI=1S/C9H19NS/c1-4-10(5-2)8-7-9-11-6-3/h4H,1,5-9H2,2-3H3
InChIKeyYKLOIOLHQBHGHJ-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine?
The IUPAC name of N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine (CID 156751270) is N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine?
The canonical SMILES for N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine is C=CN(CC)CCCSCC.
What is the InChIKey of N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine?
The InChIKey is YKLOIOLHQBHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-10(5-2)8-7-9-11-6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine?
N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-3-ethylsulfanylpropan-1-amine is sourced from PubChem (CID 156751270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).