N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine

C14H23N3S — CID 82760340

IUPACN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine
SMILESCCN(Cc1cccc(C)n1)C1CNCC1SC
InChIInChI=1S/C14H23N3S/c1-4-17(13-8-15-9-14(13)18-3)10-12-7-5-6-11(2)16-12/h5-7,13-15H,4,8-10H2,1-3H3
InChIKeyGQGRIGVBVMKXGT-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.92
Rot. Bonds5

About N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine

N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine (PubChem CID 82760340) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine
PubChem CID82760340
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine
SMILESCCN(Cc1cccc(C)n1)C1CNCC1SC
InChIInChI=1S/C14H23N3S/c1-4-17(13-8-15-9-14(13)18-3)10-12-7-5-6-11(2)16-12/h5-7,13-15H,4,8-10H2,1-3H3
InChIKeyGQGRIGVBVMKXGT-UHFFFAOYSA-N
XLogP1.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine (CID 82760340) is N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine is CCN(Cc1cccc(C)n1)C1CNCC1SC.
What is the InChIKey of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine?
The InChIKey is GQGRIGVBVMKXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-17(13-8-15-9-14(13)18-3)10-12-7-5-6-11(2)16-12/h5-7,13-15H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine?
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine has a molecular weight of 265.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine is sourced from PubChem (CID 82760340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).