1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine

C16H28N2S — CID 65241401

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CNCc2cc(C)c(C)s2)CCCNC1
InChIInChI=1S/C16H28N2S/c1-4-6-16(7-5-8-17-11-16)12-18-10-15-9-13(2)14(3)19-15/h9,17-18H,4-8,10-12H2,1-3H3
InChIKeyVXLWKCLAVNVRJO-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.62
Rot. Bonds6

About 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine

1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine (PubChem CID 65241401) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
PubChem CID65241401
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CNCc2cc(C)c(C)s2)CCCNC1
InChIInChI=1S/C16H28N2S/c1-4-6-16(7-5-8-17-11-16)12-18-10-15-9-13(2)14(3)19-15/h9,17-18H,4-8,10-12H2,1-3H3
InChIKeyVXLWKCLAVNVRJO-UHFFFAOYSA-N
XLogP3.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine (CID 65241401) is 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine is CCCC1(CNCc2cc(C)c(C)s2)CCCNC1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The InChIKey is VXLWKCLAVNVRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-6-16(7-5-8-17-11-16)12-18-10-15-9-13(2)14(3)19-15/h9,17-18H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine has a molecular weight of 280.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-[(3-propylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 65241401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).