1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine

C11H23NS — CID 65128629

IUPAC1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(CC1CC1)NCC
InChIInChI=1S/C11H23NS/c1-3-7-13-9-11(12-4-2)8-10-5-6-10/h10-12H,3-9H2,1-2H3
InChIKeyIJHOALJFEOXTGB-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine

1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine (PubChem CID 65128629) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
PubChem CID65128629
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(CC1CC1)NCC
InChIInChI=1S/C11H23NS/c1-3-7-13-9-11(12-4-2)8-10-5-6-10/h10-12H,3-9H2,1-2H3
InChIKeyIJHOALJFEOXTGB-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
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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Related Compounds

N-ethyl-1-propylsulfanyloctan-2-amine
CID 65128622
1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105152861
1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65135768
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
N-ethyl-1-pentylsulfanylpentan-2-amine
CID 107763051
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine (CID 65128629) is 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine is CCCSCC(CC1CC1)NCC.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine?
The InChIKey is IJHOALJFEOXTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-7-13-9-11(12-4-2)8-10-5-6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine?
1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).