N-[(5-methylfuran-2-yl)methyl]ethanamine

C8H13NO — CID 4777647

IUPACN-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNCc1ccc(C)o1
InChIInChI=1S/C8H13NO/c1-3-9-6-8-5-4-7(2)10-8/h4-5,9H,3,6H2,1-2H3
InChIKeyJJNDMNKUTSKBDH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.70
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]ethanamine

N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 4777647) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID4777647
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNCc1ccc(C)o1
InChIInChI=1S/C8H13NO/c1-3-9-6-8-5-4-7(2)10-8/h4-5,9H,3,6H2,1-2H3
InChIKeyJJNDMNKUTSKBDH-UHFFFAOYSA-N
XLogP1.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 4777647) is N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]ethanamine is CCNCc1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is JJNDMNKUTSKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-6-8-5-4-7(2)10-8/h4-5,9H,3,6H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]ethanamine?
N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 139.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 4777647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).