N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine

C12H25NS — CID 126596617

IUPACN-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCCSC(C)CN(CC(C)C)C1CC1
InChIInChI=1S/C12H25NS/c1-5-14-11(4)9-13(8-10(2)3)12-6-7-12/h10-12H,5-9H2,1-4H3
InChIKeyLRJUXTKXKMUDAD-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds7

About N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine

N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine (PubChem CID 126596617) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine
PubChem CID126596617
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCCSC(C)CN(CC(C)C)C1CC1
InChIInChI=1S/C12H25NS/c1-5-14-11(4)9-13(8-10(2)3)12-6-7-12/h10-12H,5-9H2,1-4H3
InChIKeyLRJUXTKXKMUDAD-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine (CID 126596617) is N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine is CCSC(C)CN(CC(C)C)C1CC1.
What is the InChIKey of N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is LRJUXTKXKMUDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-14-11(4)9-13(8-10(2)3)12-6-7-12/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine?
N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylpropyl)-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 126596617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).