N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine

C13H18N2O2 — CID 62558206

IUPACN-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccco1)Cc1ccoc1
InChIInChI=1S/C13H18N2O2/c1-15(10-12-4-8-16-11-12)6-5-14-9-13-3-2-7-17-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyLDHCLKKNWAJFKP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.09
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine

N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 62558206) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID62558206
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccco1)Cc1ccoc1
InChIInChI=1S/C13H18N2O2/c1-15(10-12-4-8-16-11-12)6-5-14-9-13-3-2-7-17-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyLDHCLKKNWAJFKP-UHFFFAOYSA-N
XLogP2.09
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.09
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'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62555017
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557513
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63026368

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine (CID 62558206) is N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1ccco1)Cc1ccoc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is LDHCLKKNWAJFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-12-4-8-16-11-12)6-5-14-9-13-3-2-7-17-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine?
N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 234.30 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62558206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).