N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine

C13H17NS2 — CID 65244071

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCc1cc(CNCCc2cccs2)sc1C
InChIInChI=1S/C13H17NS2/c1-10-8-13(16-11(10)2)9-14-6-5-12-4-3-7-15-12/h3-4,7-8,14H,5-6,9H2,1-2H3
InChIKeyVIGNIFKFRAULGP-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.76
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 65244071) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID65244071
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCc1cc(CNCCc2cccs2)sc1C
InChIInChI=1S/C13H17NS2/c1-10-8-13(16-11(10)2)9-14-6-5-12-4-3-7-15-12/h3-4,7-8,14H,5-6,9H2,1-2H3
InChIKeyVIGNIFKFRAULGP-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.76
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

2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
3-[3-[(4,5-dimethylthiophen-2-yl)methylamino]propyl]aniline
CID 115342183
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine (CID 65244071) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine is Cc1cc(CNCCc2cccs2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is VIGNIFKFRAULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-10-8-13(16-11(10)2)9-14-6-5-12-4-3-7-15-12/h3-4,7-8,14H,5-6,9H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 65244071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).