N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine

C11H20N2O — CID 62346010

IUPACN-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)CC)o1
InChIInChI=1S/C11H20N2O/c1-4-9-6-7-11(14-9)10(8-12)13(3)5-2/h6-7,10H,4-5,8,12H2,1-3H3
InChIKeyONTWUCHVRLVDMH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.79
Rot. Bonds5

About N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine

N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine (PubChem CID 62346010) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine
PubChem CID62346010
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)CC)o1
InChIInChI=1S/C11H20N2O/c1-4-9-6-7-11(14-9)10(8-12)13(3)5-2/h6-7,10H,4-5,8,12H2,1-3H3
InChIKeyONTWUCHVRLVDMH-UHFFFAOYSA-N
XLogP1.79
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine (CID 62346010) is N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine is CCc1ccc(C(CN)N(C)CC)o1.
What is the InChIKey of N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is ONTWUCHVRLVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9-6-7-11(14-9)10(8-12)13(3)5-2/h6-7,10H,4-5,8,12H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine?
N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62346010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).