N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine

C9H18N2S — CID 79503335

IUPACN-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCSCC(C)CNC1=NCCC1
InChIInChI=1S/C9H18N2S/c1-8(7-12-2)6-11-9-4-3-5-10-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyQOWPRDYTOCULLD-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.77
Rot. Bonds4

About N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503335) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503335
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCSCC(C)CNC1=NCCC1
InChIInChI=1S/C9H18N2S/c1-8(7-12-2)6-11-9-4-3-5-10-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyQOWPRDYTOCULLD-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79503335) is N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine is CSCC(C)CNC1=NCCC1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is QOWPRDYTOCULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8(7-12-2)6-11-9-4-3-5-10-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 186.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).