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

C14H24N2O2 — CID 80715063

IUPAC1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CCC2O3)CCCCC1
InChIInChI=1S/C14H24N2O2/c15-9-14(6-2-1-3-7-14)13(17)16-11-8-10-4-5-12(11)18-10/h10-12H,1-9,15H2,(H,16,17)
InChIKeyAPEFQCUYVKDHHN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds3

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

1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (PubChem CID 80715063) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
PubChem CID80715063
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CCC2O3)CCCCC1
InChIInChI=1S/C14H24N2O2/c15-9-14(6-2-1-3-7-14)13(17)16-11-8-10-4-5-12(11)18-10/h10-12H,1-9,15H2,(H,16,17)
InChIKeyAPEFQCUYVKDHHN-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide (CID 80715063) is 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide is NCC1(C(=O)NC2CC3CCC2O3)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is APEFQCUYVKDHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-9-14(6-2-1-3-7-14)13(17)16-11-8-10-4-5-12(11)18-10/h10-12H,1-9,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.33, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 80715063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).