[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine

C13H21NO — CID 83182822

IUPAC[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccoc2)C1
InChIInChI=1S/C13H21NO/c1-2-11-3-5-13(7-11,10-14)8-12-4-6-15-9-12/h4,6,9,11H,2-3,5,7-8,10,14H2,1H3
InChIKeyJMIDWGUFCRFZGF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds4

About [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine

[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine (PubChem CID 83182822) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine
PubChem CID83182822
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine
SMILESCCC1CCC(CN)(Cc2ccoc2)C1
InChIInChI=1S/C13H21NO/c1-2-11-3-5-13(7-11,10-14)8-12-4-6-15-9-12/h4,6,9,11H,2-3,5,7-8,10,14H2,1H3
InChIKeyJMIDWGUFCRFZGF-UHFFFAOYSA-N
XLogP2.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine (CID 83182822) is [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine is CCC1CCC(CN)(Cc2ccoc2)C1.
What is the InChIKey of [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine?
The InChIKey is JMIDWGUFCRFZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-11-3-5-13(7-11,10-14)8-12-4-6-15-9-12/h4,6,9,11H,2-3,5,7-8,10,14H2,1H3.
What are the key properties of [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine?
[3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(furan-3-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 83182822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).