N-ethyl-N-propylsulfanylpropan-1-amine

C8H19NS — CID 19873162

IUPACN-ethyl-N-propylsulfanylpropan-1-amine
SMILESCCCSN(CC)CCC
InChIInChI=1S/C8H19NS/c1-4-7-9(6-3)10-8-5-2/h4-8H2,1-3H3
InChIKeyLCZUVJLTVQZMSX-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.78
Rot. Bonds6

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

N-ethyl-N-propylsulfanylpropan-1-amine (PubChem CID 19873162) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethyl-N-propylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-propylsulfanylpropan-1-amine
PubChem CID19873162
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethyl-N-propylsulfanylpropan-1-amine
SMILESCCCSN(CC)CCC
InChIInChI=1S/C8H19NS/c1-4-7-9(6-3)10-8-5-2/h4-8H2,1-3H3
InChIKeyLCZUVJLTVQZMSX-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-N-propylsulfanylpropan-1-amine (CID 19873162) is N-ethyl-N-propylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-propylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-N-propylsulfanylpropan-1-amine is CCCSN(CC)CCC.
What is the InChIKey of N-ethyl-N-propylsulfanylpropan-1-amine?
The InChIKey is LCZUVJLTVQZMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7-9(6-3)10-8-5-2/h4-8H2,1-3H3.
What are the key properties of N-ethyl-N-propylsulfanylpropan-1-amine?
N-ethyl-N-propylsulfanylpropan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylsulfanylpropan-1-amine is sourced from PubChem (CID 19873162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).