N-(furan-3-ylmethyl)ethanamine

C7H11NO — CID 23383580

IUPACN-(furan-3-ylmethyl)ethanamine
SMILESCCNCc1ccoc1
InChIInChI=1S/C7H11NO/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyIDSQNSWWKTUGEP-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.39
Rot. Bonds3

About N-(furan-3-ylmethyl)ethanamine

N-(furan-3-ylmethyl)ethanamine (PubChem CID 23383580) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)ethanamine
PubChem CID23383580
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-(furan-3-ylmethyl)ethanamine
SMILESCCNCc1ccoc1
InChIInChI=1S/C7H11NO/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyIDSQNSWWKTUGEP-UHFFFAOYSA-N
XLogP1.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)ethanamine (CID 23383580) is N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)ethanamine is CCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)ethanamine?
The InChIKey is IDSQNSWWKTUGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)ethanamine?
N-(furan-3-ylmethyl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 23383580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).