1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine

C15H24N2S — CID 112585128

IUPAC1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(SCC2CCCC2)cn1
InChIInChI=1S/C15H24N2S/c1-3-14(16-2)15-9-8-13(10-17-15)18-11-12-6-4-5-7-12/h8-10,12,14,16H,3-7,11H2,1-2H3
InChIKeyRJHSQCQVAGVOFY-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.03
Rot. Bonds6

About 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine

1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine (PubChem CID 112585128) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine
PubChem CID112585128
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(SCC2CCCC2)cn1
InChIInChI=1S/C15H24N2S/c1-3-14(16-2)15-9-8-13(10-17-15)18-11-12-6-4-5-7-12/h8-10,12,14,16H,3-7,11H2,1-2H3
InChIKeyRJHSQCQVAGVOFY-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine (CID 112585128) is 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(SCC2CCCC2)cn1.
What is the InChIKey of 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine?
The InChIKey is RJHSQCQVAGVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-14(16-2)15-9-8-13(10-17-15)18-11-12-6-4-5-7-12/h8-10,12,14,16H,3-7,11H2,1-2H3.
What are the key properties of 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine?
1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]-N-methylpropan-1-amine is sourced from PubChem (CID 112585128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).