N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine

C12H20N2S — CID 83007388

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine
SMILESCc1cc(CNN2CCCCC2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-10-8-12(11(2)15-10)9-13-14-6-4-3-5-7-14/h8,13H,3-7,9H2,1-2H3
InChIKeyMNHASNAGAGNMKR-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.86
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine (PubChem CID 83007388) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine
PubChem CID83007388
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine
SMILESCc1cc(CNN2CCCCC2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-10-8-12(11(2)15-10)9-13-14-6-4-3-5-7-14/h8,13H,3-7,9H2,1-2H3
InChIKeyMNHASNAGAGNMKR-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine (CID 83007388) is N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine is Cc1cc(CNN2CCCCC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine?
The InChIKey is MNHASNAGAGNMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-8-12(11(2)15-10)9-13-14-6-4-3-5-7-14/h8,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83007388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).