1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide

C12H20N2O2 — CID 80714360

IUPAC1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CCC2O3)CCC1
InChIInChI=1S/C12H20N2O2/c13-7-12(4-1-5-12)11(15)14-9-6-8-2-3-10(9)16-8/h8-10H,1-7,13H2,(H,14,15)
InChIKeyNKZQSIVXWVIZRJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.55
Rot. Bonds3

About 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80714360) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
PubChem CID80714360
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CCC2O3)CCC1
InChIInChI=1S/C12H20N2O2/c13-7-12(4-1-5-12)11(15)14-9-6-8-2-3-10(9)16-8/h8-10H,1-7,13H2,(H,14,15)
InChIKeyNKZQSIVXWVIZRJ-UHFFFAOYSA-N
XLogP0.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide (CID 80714360) is 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide is NCC1(C(=O)NC2CC3CCC2O3)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is NKZQSIVXWVIZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-7-12(4-1-5-12)11(15)14-9-6-8-2-3-10(9)16-8/h8-10H,1-7,13H2,(H,14,15).
What are the key properties of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80714360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).