N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine

C16H28N2S — CID 80727670

IUPACN-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCCCC1CCN(Cc2cc(CNC)sc2C)CC1
InChIInChI=1S/C16H28N2S/c1-4-5-14-6-8-18(9-7-14)12-15-10-16(11-17-3)19-13(15)2/h10,14,17H,4-9,11-12H2,1-3H3
InChIKeyHHAXJWPCGNDUDJ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.79
Rot. Bonds6

About N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 80727670) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID80727670
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCCCC1CCN(Cc2cc(CNC)sc2C)CC1
InChIInChI=1S/C16H28N2S/c1-4-5-14-6-8-18(9-7-14)12-15-10-16(11-17-3)19-13(15)2/h10,14,17H,4-9,11-12H2,1-3H3
InChIKeyHHAXJWPCGNDUDJ-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tifacogin
CID 961320
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
(4-Benzylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanethione
CID 2455027
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
CID 10176342
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine (CID 80727670) is N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine is CCCC1CCN(Cc2cc(CNC)sc2C)CC1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is HHAXJWPCGNDUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-5-14-6-8-18(9-7-14)12-15-10-16(11-17-3)19-13(15)2/h10,14,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 280.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80727670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).