N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine

C13H22N2S — CID 104736344

IUPACN-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCSCC(Cc1cccnc1)NCC
InChIInChI=1S/C13H22N2S/c1-3-8-16-11-13(15-4-2)9-12-6-5-7-14-10-12/h5-7,10,13,15H,3-4,8-9,11H2,1-2H3
InChIKeySQSCANUIVKRGKE-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.75
Rot. Bonds8

About N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine

N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 104736344) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
PubChem CID104736344
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
SMILESCCCSCC(Cc1cccnc1)NCC
InChIInChI=1S/C13H22N2S/c1-3-8-16-11-13(15-4-2)9-12-6-5-7-14-10-12/h5-7,10,13,15H,3-4,8-9,11H2,1-2H3
InChIKeySQSCANUIVKRGKE-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736457
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine (CID 104736344) is N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine is CCCSCC(Cc1cccnc1)NCC.
What is the InChIKey of N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is SQSCANUIVKRGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-8-16-11-13(15-4-2)9-12-6-5-7-14-10-12/h5-7,10,13,15H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine?
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 104736344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).