1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C14H26N2O — CID 63982460

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)C(C)(C)CC)o1
InChIInChI=1S/C14H26N2O/c1-6-11-8-9-13(17-11)12(10-15)16(5)14(3,4)7-2/h8-9,12H,6-7,10,15H2,1-5H3
InChIKeyMHRODWYBJUMZFX-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.96
Rot. Bonds6

About 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 63982460) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID63982460
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCc1ccc(C(CN)N(C)C(C)(C)CC)o1
InChIInChI=1S/C14H26N2O/c1-6-11-8-9-13(17-11)12(10-15)16(5)14(3,4)7-2/h8-9,12H,6-7,10,15H2,1-5H3
InChIKeyMHRODWYBJUMZFX-UHFFFAOYSA-N
XLogP2.96
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 63982460) is 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCc1ccc(C(CN)N(C)C(C)(C)CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is MHRODWYBJUMZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-11-8-9-13(17-11)12(10-15)16(5)14(3,4)7-2/h8-9,12H,6-7,10,15H2,1-5H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63982460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).