N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine

C12H20N2S — CID 104594809

IUPACN-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC1(CNCc2cccs2)CCCCN1
InChIInChI=1S/C12H20N2S/c1-12(6-2-3-7-14-12)10-13-9-11-5-4-8-15-11/h4-5,8,13-14H,2-3,6-7,9-10H2,1H3
InChIKeyDUNOTVFYDBGSPQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.37
Rot. Bonds4

About N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 104594809) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID104594809
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC1(CNCc2cccs2)CCCCN1
InChIInChI=1S/C12H20N2S/c1-12(6-2-3-7-14-12)10-13-9-11-5-4-8-15-11/h4-5,8,13-14H,2-3,6-7,9-10H2,1H3
InChIKeyDUNOTVFYDBGSPQ-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine
CID 65241098
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655467
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
2-ethyl-2-(2-thiophen-2-ylethyl)piperidine
CID 117271805
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 104594809) is N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine is CC1(CNCc2cccs2)CCCCN1.
What is the InChIKey of N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is DUNOTVFYDBGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(6-2-3-7-14-12)10-13-9-11-5-4-8-15-11/h4-5,8,13-14H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 104594809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).