N-ethyl-3-propylsulfanylpropan-1-amine

C8H19NS — CID 15066865

IUPACN-ethyl-3-propylsulfanylpropan-1-amine
SMILESCCCSCCCNCC
InChIInChI=1S/C8H19NS/c1-3-7-10-8-5-6-9-4-2/h9H,3-8H2,1-2H3
InChIKeySAJHWCCWVHBKJR-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.13
Rot. Bonds7

About N-ethyl-3-propylsulfanylpropan-1-amine

N-ethyl-3-propylsulfanylpropan-1-amine (PubChem CID 15066865) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethyl-3-propylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-propylsulfanylpropan-1-amine
PubChem CID15066865
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethyl-3-propylsulfanylpropan-1-amine
SMILESCCCSCCCNCC
InChIInChI=1S/C8H19NS/c1-3-7-10-8-5-6-9-4-2/h9H,3-8H2,1-2H3
InChIKeySAJHWCCWVHBKJR-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-ethyl-3-propylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-3-propylsulfanylpropan-1-amine (CID 15066865) is N-ethyl-3-propylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-propylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-3-propylsulfanylpropan-1-amine is CCCSCCCNCC.
What is the InChIKey of N-ethyl-3-propylsulfanylpropan-1-amine?
The InChIKey is SAJHWCCWVHBKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-7-10-8-5-6-9-4-2/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-3-propylsulfanylpropan-1-amine?
N-ethyl-3-propylsulfanylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-propylsulfanylpropan-1-amine is sourced from PubChem (CID 15066865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).