6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide

C13H24N2O2 — CID 80714519

IUPAC6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
SMILESCC(CCN)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H24N2O2/c1-9(6-7-14)2-5-13(16)15-11-8-10-3-4-12(11)17-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyFIKPBIIQCQLIMX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds6

About 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide

6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide (PubChem CID 80714519) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide.

Molecular Properties

Compound Name6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
PubChem CID80714519
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
SMILESCC(CCN)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C13H24N2O2/c1-9(6-7-14)2-5-13(16)15-11-8-10-3-4-12(11)17-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyFIKPBIIQCQLIMX-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
CID 120562894
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
CID 80602124
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
1-(2-methyl-3-methylsulfanylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 84587193
3-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 81071061
2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
CID 80717636
2-amino-3-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide;hydrochloride
CID 120992551
2-carbamothioyl-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80719880

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
The IUPAC name of 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide (CID 80714519) is 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide.
What is the SMILES notation for 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
The canonical SMILES for 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide is CC(CCN)CCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
The InChIKey is FIKPBIIQCQLIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(6-7-14)2-5-13(16)15-11-8-10-3-4-12(11)17-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide is sourced from PubChem (CID 80714519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).