N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine

C20H36N2S — CID 16126036

IUPACN,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
SMILESCN(C)CCCCCCCCC1=CC=C(S1)CC2CCNCC2
InChIInChI=1S/C20H36N2S/c1-22(2)16-8-6-4-3-5-7-9-19-10-11-20(23-19)17-18-12-14-21-15-13-18/h10-11,18,21H,3-9,12-17H2,1-2H3
InChIKeyNJNDJMXRNPXFQF-UHFFFAOYSA-N
MW336.60 g/mol
LogP5.20
Rot. Bonds11

About N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine

N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine (PubChem CID 16126036) has the molecular formula C20H36N2S and a molecular weight of 336.60 g/mol. Its IUPAC name is N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
PubChem CID16126036
Molecular FormulaC20H36N2S
Molecular Weight336.60 g/mol
Exact Mass336.26
IUPAC NameN,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
SMILESCN(C)CCCCCCCCC1=CC=C(S1)CC2CCNCC2
InChIInChI=1S/C20H36N2S/c1-22(2)16-8-6-4-3-5-7-9-19-10-11-20(23-19)17-18-12-14-21-15-13-18/h10-11,18,21H,3-9,12-17H2,1-2H3
InChIKeyNJNDJMXRNPXFQF-UHFFFAOYSA-N
XLogP5.20
TPSA43.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity289

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-Methylthiophen-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 23352282
8-[5-(Piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126037
4-(2-Thienyl)piperidine
CID 19095574
8-[5-(4-Aminobutyl)-3-ethylthiophen-2-yl]octan-1-amine
CID 16125736
N-prop-2-enyl-8-[5-[4-(prop-2-enylamino)butyl]thiophen-2-yl]octan-1-amine
CID 16125740
8-[5-(4-Aminobutyl)-4-methylthiophen-2-yl]octan-1-amine
CID 16125857
8-[5-(4-Aminobutyl)-3-methylthiophen-2-yl]octan-1-amine
CID 16125858
N-methyl-8-[5-[4-(methylamino)butyl]thiophen-2-yl]octan-1-amine
CID 16125859
N-propyl-8-[5-[4-(propylamino)butyl]thiophen-2-yl]octan-1-amine
CID 16125860
N-methyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine
CID 16126035
N'-[4-[5-(4-aminobutyl)thiophen-2-yl]butyl]propane-1,3-diamine
CID 16126184
5-Methyl-2-(thiophen-2-yl)piperidine
CID 145866918

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine?
The IUPAC name of N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine (CID 16126036) is N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine.
What is the SMILES notation for N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine?
The canonical SMILES for N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine is CN(C)CCCCCCCCC1=CC=C(S1)CC2CCNCC2.
What is the InChIKey of N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine?
The InChIKey is NJNDJMXRNPXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2S/c1-22(2)16-8-6-4-3-5-7-9-19-10-11-20(23-19)17-18-12-14-21-15-13-18/h10-11,18,21H,3-9,12-17H2,1-2H3.
What are the key properties of N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine?
N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine has a molecular weight of 336.60 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[5-(piperidin-4-ylmethyl)thiophen-2-yl]octan-1-amine is sourced from PubChem (CID 16126036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).