1-amino-1-cycloheptylpropan-2-one

C10H19NO — CID 54549167

IUPAC1-amino-1-cycloheptylpropan-2-one
SMILESCC(=O)C(N)C1CCCCCC1
InChIInChI=1S/C10H19NO/c1-8(12)10(11)9-6-4-2-3-5-7-9/h9-10H,2-7,11H2,1H3
InChIKeyDJEDAOROZCIYBO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds2

About 1-amino-1-cycloheptylpropan-2-one

1-amino-1-cycloheptylpropan-2-one (PubChem CID 54549167) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-amino-1-cycloheptylpropan-2-one.

Molecular Properties

Compound Name1-amino-1-cycloheptylpropan-2-one
PubChem CID54549167
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-amino-1-cycloheptylpropan-2-one
SMILESCC(=O)C(N)C1CCCCCC1
InChIInChI=1S/C10H19NO/c1-8(12)10(11)9-6-4-2-3-5-7-9/h9-10H,2-7,11H2,1H3
InChIKeyDJEDAOROZCIYBO-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cyclopropylpropan-2-one
CID 54079114
2-amino-2-cyclohexyl-N-methylacetamide
CID 66931955
1-amino-1-piperidin-3-ylpropan-2-one
CID 129030594
(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
CID 88971948
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606
2-amino-2-cyclohexyl-N-methylacetamide;hydrochloride
CID 66985507
(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
CID 68552101
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
propyl 2-amino-2-cyclohexylacetate
CID 61016884
3-amino-4-cyclohexylbutan-2-one
CID 20668322
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cycloheptylpropan-2-one?
The IUPAC name of 1-amino-1-cycloheptylpropan-2-one (CID 54549167) is 1-amino-1-cycloheptylpropan-2-one.
What is the SMILES notation for 1-amino-1-cycloheptylpropan-2-one?
The canonical SMILES for 1-amino-1-cycloheptylpropan-2-one is CC(=O)C(N)C1CCCCCC1.
What is the InChIKey of 1-amino-1-cycloheptylpropan-2-one?
The InChIKey is DJEDAOROZCIYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)10(11)9-6-4-2-3-5-7-9/h9-10H,2-7,11H2,1H3.
What are the key properties of 1-amino-1-cycloheptylpropan-2-one?
1-amino-1-cycloheptylpropan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cycloheptylpropan-2-one is sourced from PubChem (CID 54549167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).