N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

C14H20N2OS — CID 43182619

IUPACN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1ccc(CNCC(c2cccs2)N(C)C)o1
InChIInChI=1S/C14H20N2OS/c1-11-6-7-12(17-11)9-15-10-13(16(2)3)14-5-4-8-18-14/h4-8,13,15H,9-10H2,1-3H3
InChIKeyFOWZFTARAZGSDJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds6

About N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43182619) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43182619
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1ccc(CNCC(c2cccs2)N(C)C)o1
InChIInChI=1S/C14H20N2OS/c1-11-6-7-12(17-11)9-15-10-13(16(2)3)14-5-4-8-18-14/h4-8,13,15H,9-10H2,1-3H3
InChIKeyFOWZFTARAZGSDJ-UHFFFAOYSA-N
XLogP3.04
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057521
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid
CID 104608110
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
N'-[(4-bromo-3-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 66472183
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (CID 43182619) is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is Cc1ccc(CNCC(c2cccs2)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is FOWZFTARAZGSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-6-7-12(17-11)9-15-10-13(16(2)3)14-5-4-8-18-14/h4-8,13,15H,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43182619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).