N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine

C25H32N2OS — CID 91167924

IUPACN-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCC(CCC(C)c3coc(-c4cccnc4)c3)C2)c1
InChIInChI=1S/C25H32N2OS/c1-18-11-24(29-17-18)15-27-23-7-3-5-20(12-23)9-8-19(2)22-13-25(28-16-22)21-6-4-10-26-14-21/h4,6,10-11,13-14,16-17,19-20,23,27H,3,5,7-9,12,15H2,1-2H3
InChIKeyTZVAVKVBXAWCRI-UHFFFAOYSA-N
MW408.61 g/mol
LogP6.94
Rot. Bonds8

About N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine

N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine (PubChem CID 91167924) has the molecular formula C25H32N2OS and a molecular weight of 408.61 g/mol. Its IUPAC name is N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine
PubChem CID91167924
Molecular FormulaC25H32N2OS
Molecular Weight408.61 g/mol
Exact Mass408.22
IUPAC NameN-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCC(CCC(C)c3coc(-c4cccnc4)c3)C2)c1
InChIInChI=1S/C25H32N2OS/c1-18-11-24(29-17-18)15-27-23-7-3-5-20(12-23)9-8-19(2)22-13-25(28-16-22)21-6-4-10-26-14-21/h4,6,10-11,13-14,16-17,19-20,23,27H,3,5,7-9,12,15H2,1-2H3
InChIKeyTZVAVKVBXAWCRI-UHFFFAOYSA-N
XLogP6.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.61
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine with MolForge

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Related Compounds

[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145955289
[5-[4-(Furan-3-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145956935
6-[4-[(2-Thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746483
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418212
N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216724
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216728
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216729
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211279
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine?
The IUPAC name of N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine (CID 91167924) is N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine.
What is the SMILES notation for N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine?
The canonical SMILES for N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine is Cc1csc(CNC2CCCC(CCC(C)c3coc(-c4cccnc4)c3)C2)c1.
What is the InChIKey of N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine?
The InChIKey is TZVAVKVBXAWCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2OS/c1-18-11-24(29-17-18)15-27-23-7-3-5-20(12-23)9-8-19(2)22-13-25(28-16-22)21-6-4-10-26-14-21/h4,6,10-11,13-14,16-17,19-20,23,27H,3,5,7-9,12,15H2,1-2H3.
What are the key properties of N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine?
N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine has a molecular weight of 408.61 g/mol, XLogP of 6.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiophen-2-yl)methyl]-3-[3-(5-pyridin-3-ylfuran-3-yl)butyl]cyclohexan-1-amine is sourced from PubChem (CID 91167924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).