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

C15H26N2O2 — CID 80716059

IUPAC1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CCC2O3)CCCCCC1
InChIInChI=1S/C15H26N2O2/c16-10-15(7-3-1-2-4-8-15)14(18)17-12-9-11-5-6-13(12)19-11/h11-13H,1-10,16H2,(H,17,18)
InChIKeyVJRLLCVZPVTACN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.72
Rot. Bonds3

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

1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide (PubChem CID 80716059) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
PubChem CID80716059
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NC2CC3CCC2O3)CCCCCC1
InChIInChI=1S/C15H26N2O2/c16-10-15(7-3-1-2-4-8-15)14(18)17-12-9-11-5-6-13(12)19-11/h11-13H,1-10,16H2,(H,17,18)
InChIKeyVJRLLCVZPVTACN-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 61827273
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cycloheptane-1-carboxamide
CID 61828295
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 61830068
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 61830265
1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 61842936
2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 64684383
2-[1-(methylamino)cyclohexyl]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 65240683
2-amino-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 80151609
2-amino-N-(oxolan-2-ylmethyl)cycloheptane-1-carboxamide
CID 80151985
1-cyano-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexane-1-carboxamide
CID 80602492
1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
CID 80714360
2-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-propylpentanamide
CID 80714494

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide (CID 80716059) is 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide is NCC1(C(=O)NC2CC3CCC2O3)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
The InChIKey is VJRLLCVZPVTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-10-15(7-3-1-2-4-8-15)14(18)17-12-9-11-5-6-13(12)19-11/h11-13H,1-10,16H2,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.72, 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)cycloheptane-1-carboxamide is sourced from PubChem (CID 80716059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).