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

C13H24N2O — CID 114820548

IUPACN'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(CN(C)CCNCC(C)C)co1
InChIInChI=1S/C13H24N2O/c1-11(2)8-14-5-6-15(4)9-13-7-12(3)16-10-13/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeyRXAWBDBIFFSYLH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds7

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

N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114820548) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114820548
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cc(CN(C)CCNCC(C)C)co1
InChIInChI=1S/C13H24N2O/c1-11(2)8-14-5-6-15(4)9-13-7-12(3)16-10-13/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeyRXAWBDBIFFSYLH-UHFFFAOYSA-N
XLogP2.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine (CID 114820548) is N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine is Cc1cc(CN(C)CCNCC(C)C)co1.
What is the InChIKey of N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is RXAWBDBIFFSYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)8-14-5-6-15(4)9-13-7-12(3)16-10-13/h7,10-11,14H,5-6,8-9H2,1-4H3.
What are the key properties of N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(5-methylfuran-3-yl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114820548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).