3-(1-aminoethyl)azepan-2-one

C8H16N2O — CID 2837704

IUPAC3-(1-aminoethyl)azepan-2-one
SMILESCC(N)C1CCCCNC1=O
InChIInChI=1S/C8H16N2O/c1-6(9)7-4-2-3-5-10-8(7)11/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyCKDIVWATOSYNJT-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.25
Rot. Bonds1

About 3-(1-aminoethyl)azepan-2-one

3-(1-aminoethyl)azepan-2-one (PubChem CID 2837704) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(1-aminoethyl)azepan-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)azepan-2-one
PubChem CID2837704
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(1-aminoethyl)azepan-2-one
SMILESCC(N)C1CCCCNC1=O
InChIInChI=1S/C8H16N2O/c1-6(9)7-4-2-3-5-10-8(7)11/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyCKDIVWATOSYNJT-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminoethyl)azocan-2-one
CID 23959350
(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
CID 7047455
(3R)-3-[amino(cyclopropyl)methyl]azepan-2-one
CID 68800299
3-but-3-en-2-ylazepan-2-one
CID 104679572
[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
CID 7047454
(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one
CID 54597772
3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
CID 83876452
3-(2-aminopropoxy)azepan-2-one
CID 164664183
3-pentan-2-ylpiperidin-2-one
CID 107889853
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
3-methylazepan-2-one
CID 581216
3-aminoazepan-2-one;nickel
CID 88838711

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)azepan-2-one?
The IUPAC name of 3-(1-aminoethyl)azepan-2-one (CID 2837704) is 3-(1-aminoethyl)azepan-2-one.
What is the SMILES notation for 3-(1-aminoethyl)azepan-2-one?
The canonical SMILES for 3-(1-aminoethyl)azepan-2-one is CC(N)C1CCCCNC1=O.
What is the InChIKey of 3-(1-aminoethyl)azepan-2-one?
The InChIKey is CKDIVWATOSYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)7-4-2-3-5-10-8(7)11/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 3-(1-aminoethyl)azepan-2-one?
3-(1-aminoethyl)azepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)azepan-2-one is sourced from PubChem (CID 2837704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).