1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C12H16N2OS — CID 43528156

IUPAC1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1ccco1
InChIInChI=1S/C12H16N2OS/c1-14(8-10-4-6-16-9-10)11(7-13)12-3-2-5-15-12/h2-6,9,11H,7-8,13H2,1H3
InChIKeyMINXKDCGGCVHED-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.47
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43528156) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID43528156
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1ccco1
InChIInChI=1S/C12H16N2OS/c1-14(8-10-4-6-16-9-10)11(7-13)12-3-2-5-15-12/h2-6,9,11H,7-8,13H2,1H3
InChIKeyMINXKDCGGCVHED-UHFFFAOYSA-N
XLogP2.47
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 102838401
1-(3-ethylimidazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 66135725
2-N,4,4-trimethyl-2-N-(thiophen-3-ylmethyl)pentane-1,2-diamine
CID 62949476
1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea
CID 122557630
2-N-methyl-4-methylsulfanyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 60811268
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 43528156) is 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CN(Cc1ccsc1)C(CN)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is MINXKDCGGCVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-14(8-10-4-6-16-9-10)11(7-13)12-3-2-5-15-12/h2-6,9,11H,7-8,13H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43528156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).