2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone

C13H24N2O — CID 79854226

IUPAC2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
SMILESCC1CCCCCN1C(=O)CC1(N)CCC1
InChIInChI=1S/C13H24N2O/c1-11-6-3-2-4-9-15(11)12(16)10-13(14)7-5-8-13/h11H,2-10,14H2,1H3
InChIKeyRAJXAHGUKYZKQB-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.05
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone (PubChem CID 79854226) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
PubChem CID79854226
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
SMILESCC1CCCCCN1C(=O)CC1(N)CCC1
InChIInChI=1S/C13H24N2O/c1-11-6-3-2-4-9-15(11)12(16)10-13(14)7-5-8-13/h11H,2-10,14H2,1H3
InChIKeyRAJXAHGUKYZKQB-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone (CID 79854226) is 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone is CC1CCCCCN1C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone?
The InChIKey is RAJXAHGUKYZKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-6-3-2-4-9-15(11)12(16)10-13(14)7-5-8-13/h11H,2-10,14H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone has a molecular weight of 224.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone is sourced from PubChem (CID 79854226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).