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

C9H18N2O — CID 23959350

IUPAC3-(1-aminoethyl)azocan-2-one
SMILESCC(N)C1CCCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-7(10)8-5-3-2-4-6-11-9(8)12/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyHCZCHISNGVTYSE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds1

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

3-(1-aminoethyl)azocan-2-one (PubChem CID 23959350) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(1-aminoethyl)azocan-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)azocan-2-one
PubChem CID23959350
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(1-aminoethyl)azocan-2-one
SMILESCC(N)C1CCCCCNC1=O
InChIInChI=1S/C9H18N2O/c1-7(10)8-5-3-2-4-6-11-9(8)12/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyHCZCHISNGVTYSE-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminoethyl)azepan-2-one
CID 2837704
(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-methylazonan-2-one
CID 59032742
3-methyl-azacycloundecan-2-one
CID 118421477
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)azocan-2-one?
The IUPAC name of 3-(1-aminoethyl)azocan-2-one (CID 23959350) is 3-(1-aminoethyl)azocan-2-one.
What is the SMILES notation for 3-(1-aminoethyl)azocan-2-one?
The canonical SMILES for 3-(1-aminoethyl)azocan-2-one is CC(N)C1CCCCCNC1=O.
What is the InChIKey of 3-(1-aminoethyl)azocan-2-one?
The InChIKey is HCZCHISNGVTYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(10)8-5-3-2-4-6-11-9(8)12/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 3-(1-aminoethyl)azocan-2-one?
3-(1-aminoethyl)azocan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)azocan-2-one is sourced from PubChem (CID 23959350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).