N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine

C10H15NO2 — CID 104587739

IUPACN-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccoc2)C1
InChIInChI=1S/C10H15NO2/c1-12-10-4-9(5-10)11-6-8-2-3-13-7-8/h2-3,7,9-11H,4-6H2,1H3
InChIKeyXYCPZBHSCKJQNN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.55
Rot. Bonds4

About N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine

N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine (PubChem CID 104587739) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
PubChem CID104587739
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCc2ccoc2)C1
InChIInChI=1S/C10H15NO2/c1-12-10-4-9(5-10)11-6-8-2-3-13-7-8/h2-3,7,9-11H,4-6H2,1H3
InChIKeyXYCPZBHSCKJQNN-UHFFFAOYSA-N
XLogP1.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine (CID 104587739) is N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine is COC1CC(NCc2ccoc2)C1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine?
The InChIKey is XYCPZBHSCKJQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-12-10-4-9(5-10)11-6-8-2-3-13-7-8/h2-3,7,9-11H,4-6H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine?
N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104587739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).