N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine

C11H19ClN2O — CID 106684730

IUPACN'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)Cc1ccc(Cl)o1
InChIInChI=1S/C11H19ClN2O/c1-3-6-13-7-8-14(2)9-10-4-5-11(12)15-10/h4-5,13H,3,6-9H2,1-2H3
InChIKeyJSWQKOABPJOVAK-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.36
Rot. Bonds7

About N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine

N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 106684730) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine
PubChem CID106684730
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC NameN'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)Cc1ccc(Cl)o1
InChIInChI=1S/C11H19ClN2O/c1-3-6-13-7-8-14(2)9-10-4-5-11(12)15-10/h4-5,13H,3,6-9H2,1-2H3
InChIKeyJSWQKOABPJOVAK-UHFFFAOYSA-N
XLogP2.36
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.36
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'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine (CID 106684730) is N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)Cc1ccc(Cl)o1.
What is the InChIKey of N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is JSWQKOABPJOVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-3-6-13-7-8-14(2)9-10-4-5-11(12)15-10/h4-5,13H,3,6-9H2,1-2H3.
What are the key properties of N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine?
N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 230.74 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 106684730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).