2-amino-1-cycloheptyl-2-ethylbutan-1-one

C13H25NO — CID 116592825

IUPAC2-amino-1-cycloheptyl-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-3-13(14,4-2)12(15)11-9-7-5-6-8-10-11/h11H,3-10,14H2,1-2H3
InChIKeyVLYSIJLJOJOZID-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.04
Rot. Bonds4

About 2-amino-1-cycloheptyl-2-ethylbutan-1-one

2-amino-1-cycloheptyl-2-ethylbutan-1-one (PubChem CID 116592825) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-amino-1-cycloheptyl-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-cycloheptyl-2-ethylbutan-1-one
PubChem CID116592825
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-amino-1-cycloheptyl-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)C1CCCCCC1
InChIInChI=1S/C13H25NO/c1-3-13(14,4-2)12(15)11-9-7-5-6-8-10-11/h11H,3-10,14H2,1-2H3
InChIKeyVLYSIJLJOJOZID-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
CID 116603949
(2R)-2-amino-2-(cyclohexanecarbonyl)-4,4-dimethylpentanamide
CID 166559286
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
1-cyclopentyl-2-methoxy-2-methylbutan-1-one
CID 116746785
1-cyclohexyl-2-(diethylamino)-2-methylpropan-1-one
CID 79053327
2-amino-N-(cyclohexylmethyl)-2-ethyl-N-methylbutanamide
CID 79812390
2,2-bis(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 15607732
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cycloheptyl-2-ethylbutan-1-one?
The IUPAC name of 2-amino-1-cycloheptyl-2-ethylbutan-1-one (CID 116592825) is 2-amino-1-cycloheptyl-2-ethylbutan-1-one.
What is the SMILES notation for 2-amino-1-cycloheptyl-2-ethylbutan-1-one?
The canonical SMILES for 2-amino-1-cycloheptyl-2-ethylbutan-1-one is CCC(N)(CC)C(=O)C1CCCCCC1.
What is the InChIKey of 2-amino-1-cycloheptyl-2-ethylbutan-1-one?
The InChIKey is VLYSIJLJOJOZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(14,4-2)12(15)11-9-7-5-6-8-10-11/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-amino-1-cycloheptyl-2-ethylbutan-1-one?
2-amino-1-cycloheptyl-2-ethylbutan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cycloheptyl-2-ethylbutan-1-one is sourced from PubChem (CID 116592825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).