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

C14H26N2O — CID 55061597

IUPACN-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)CC(C)C)o1
InChIInChI=1S/C14H26N2O/c1-5-12-7-8-14(17-12)13(9-15)16(6-2)10-11(3)4/h7-8,11,13H,5-6,9-10,15H2,1-4H3
InChIKeyYUIWKFYBYWEAFO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.82
Rot. Bonds7

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

N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55061597) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55061597
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(CC)CC(C)C)o1
InChIInChI=1S/C14H26N2O/c1-5-12-7-8-14(17-12)13(9-15)16(6-2)10-11(3)4/h7-8,11,13H,5-6,9-10,15H2,1-4H3
InChIKeyYUIWKFYBYWEAFO-UHFFFAOYSA-N
XLogP2.82
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.82
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-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 55061597) is N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CCc1ccc(C(CN)N(CC)CC(C)C)o1.
What is the InChIKey of N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YUIWKFYBYWEAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-12-7-8-14(17-12)13(9-15)16(6-2)10-11(3)4/h7-8,11,13H,5-6,9-10,15H2,1-4H3.
What are the key properties of N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.82, 7 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-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55061597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).