N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine

C12H22N2O — CID 114820520

IUPACN',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1coc(C)c1
InChIInChI=1S/C12H22N2O/c1-4-14(5-2)7-6-13-9-12-8-11(3)15-10-12/h8,10,13H,4-7,9H2,1-3H3
InChIKeyTUKRXDUHGSXEKS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds7

About N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine (PubChem CID 114820520) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine
PubChem CID114820520
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1coc(C)c1
InChIInChI=1S/C12H22N2O/c1-4-14(5-2)7-6-13-9-12-8-11(3)15-10-12/h8,10,13H,4-7,9H2,1-3H3
InChIKeyTUKRXDUHGSXEKS-UHFFFAOYSA-N
XLogP2.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.02
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

N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N-[(3,5-dibromophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 107972005
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820560
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 60719969

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine (CID 114820520) is N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1coc(C)c1.
What is the InChIKey of N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is TUKRXDUHGSXEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14(5-2)7-6-13-9-12-8-11(3)15-10-12/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 114820520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).