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

C14H24N2O2 — CID 80714833

IUPAC2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H24N2O2/c15-8-9-3-1-2-4-11(9)14(17)16-12-7-10-5-6-13(12)18-10/h9-13H,1-8,15H2,(H,16,17)
InChIKeyWJAXKRNQCMUYMK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.19
Rot. Bonds3

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

2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (PubChem CID 80714833) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
PubChem CID80714833
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNCC1CCCCC1C(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H24N2O2/c15-8-9-3-1-2-4-11(9)14(17)16-12-7-10-5-6-13(12)18-10/h9-13H,1-8,15H2,(H,16,17)
InChIKeyWJAXKRNQCMUYMK-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (CID 80714833) is 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is NCC1CCCCC1C(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is WJAXKRNQCMUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-8-9-3-1-2-4-11(9)14(17)16-12-7-10-5-6-13(12)18-10/h9-13H,1-8,15H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80714833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).