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

C14H20N2OS — CID 55089294

IUPACN-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)CCNCc1ccoc1
InChIInChI=1S/C14H20N2OS/c1-12(14-4-3-9-18-14)16(2)7-6-15-10-13-5-8-17-11-13/h3-5,8-9,11-12,15H,6-7,10H2,1-2H3
InChIKeyBYKCXQOOFKQBTF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.12
Rot. Bonds7

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

N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 55089294) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID55089294
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)CCNCc1ccoc1
InChIInChI=1S/C14H20N2OS/c1-12(14-4-3-9-18-14)16(2)7-6-15-10-13-5-8-17-11-13/h3-5,8-9,11-12,15H,6-7,10H2,1-2H3
InChIKeyBYKCXQOOFKQBTF-UHFFFAOYSA-N
XLogP3.12
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883665
N'-[2-(dimethylamino)ethyl]-N-(furan-3-ylmethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089726
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-(3-ethoxypropyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556118
N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62559702
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089246
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 55089294) is N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(c1cccs1)N(C)CCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is BYKCXQOOFKQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-12(14-4-3-9-18-14)16(2)7-6-15-10-13-5-8-17-11-13/h3-5,8-9,11-12,15H,6-7,10H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).