N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C12H17NO2 — CID 115626065

IUPACN-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESc1cc(CNCC2CC3CCC2O3)co1
InChIInChI=1S/C12H17NO2/c1-2-12-10(5-11(1)15-12)7-13-6-9-3-4-14-8-9/h3-4,8,10-13H,1-2,5-7H2
InChIKeyAWMQUYPIXRMQKF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 115626065) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID115626065
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESc1cc(CNCC2CC3CCC2O3)co1
InChIInChI=1S/C12H17NO2/c1-2-12-10(5-11(1)15-12)7-13-6-9-3-4-14-8-9/h3-4,8,10-13H,1-2,5-7H2
InChIKeyAWMQUYPIXRMQKF-UHFFFAOYSA-N
XLogP1.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
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)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 115626065) is N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is c1cc(CNCC2CC3CCC2O3)co1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is AWMQUYPIXRMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-12-10(5-11(1)15-12)7-13-6-9-3-4-14-8-9/h3-4,8,10-13H,1-2,5-7H2.
What are the key properties of N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
N-(furan-3-ylmethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.94, 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)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 115626065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).