(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine

C12H19NO — CID 103093413

IUPAC(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(C)o1
InChIInChI=1S/C12H19NO/c1-5-13-11(4)9(2)8-12-7-6-10(3)14-12/h6-8,11,13H,5H2,1-4H3/b9-8+
InChIKeyHEGDGLCEMQZFHE-CMDGGOBGSA-N
MW193.29 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine

(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine (PubChem CID 103093413) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine
PubChem CID103093413
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(C)o1
InChIInChI=1S/C12H19NO/c1-5-13-11(4)9(2)8-12-7-6-10(3)14-12/h6-8,11,13H,5H2,1-4H3/b9-8+
InChIKeyHEGDGLCEMQZFHE-CMDGGOBGSA-N
XLogP2.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine (CID 103093413) is (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine is CCNC(C)/C(C)=C/c1ccc(C)o1.
What is the InChIKey of (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine?
The InChIKey is HEGDGLCEMQZFHE-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-13-11(4)9(2)8-12-7-6-10(3)14-12/h6-8,11,13H,5H2,1-4H3/b9-8+.
What are the key properties of (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine?
(E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-amine is sourced from PubChem (CID 103093413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).