2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C12H17NO — CID 83182913

IUPAC2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccoc2)CC2CCC1C2
InChIInChI=1S/C12H17NO/c13-12(7-10-3-4-14-8-10)6-9-1-2-11(12)5-9/h3-4,8-9,11H,1-2,5-7,13H2
InChIKeyANCYICJWTRUDGI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds2

About 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 83182913) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID83182913
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccoc2)CC2CCC1C2
InChIInChI=1S/C12H17NO/c13-12(7-10-3-4-14-8-10)6-9-1-2-11(12)5-9/h3-4,8-9,11H,1-2,5-7,13H2
InChIKeyANCYICJWTRUDGI-UHFFFAOYSA-N
XLogP2.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 83182913) is 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is NC1(Cc2ccoc2)CC2CCC1C2.
What is the InChIKey of 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ANCYICJWTRUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-12(7-10-3-4-14-8-10)6-9-1-2-11(12)5-9/h3-4,8-9,11H,1-2,5-7,13H2.
What are the key properties of 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 83182913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).