[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C13H19NO — CID 62998871

IUPAC[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(Cc2ccco2)CC2CCC1C2
InChIInChI=1S/C13H19NO/c14-9-13(8-12-2-1-5-15-12)7-10-3-4-11(13)6-10/h1-2,5,10-11H,3-4,6-9,14H2
InChIKeyNGIXHJPVKBGEHA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds3

About [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 62998871) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID62998871
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(Cc2ccco2)CC2CCC1C2
InChIInChI=1S/C13H19NO/c14-9-13(8-12-2-1-5-15-12)7-10-3-4-11(13)6-10/h1-2,5,10-11H,3-4,6-9,14H2
InChIKeyNGIXHJPVKBGEHA-UHFFFAOYSA-N
XLogP2.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 62998871) is [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1(Cc2ccco2)CC2CCC1C2.
What is the InChIKey of [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is NGIXHJPVKBGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-9-13(8-12-2-1-5-15-12)7-10-3-4-11(13)6-10/h1-2,5,10-11H,3-4,6-9,14H2.
What are the key properties of [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 62998871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).