ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one

C12H23NO — CID 175273412

IUPACethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one
SMILESCC1=C(C)C(=O)CC(C)(C)C1.CCN
InChIInChI=1S/C10H16O.C2H7N/c1-7-5-10(3,4)6-9(11)8(7)2;1-2-3/h5-6H2,1-4H3;2-3H2,1H3
InChIKeyUTFVYQPZHKEDLS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds

About ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one

ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one (PubChem CID 175273412) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one.

Molecular Properties

Compound Nameethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one
PubChem CID175273412
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one
SMILESCC1=C(C)C(=O)CC(C)(C)C1.CCN
InChIInChI=1S/C10H16O.C2H7N/c1-7-5-10(3,4)6-9(11)8(7)2;1-2-3/h5-6H2,1-4H3;2-3H2,1H3
InChIKeyUTFVYQPZHKEDLS-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one?
The IUPAC name of ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one (CID 175273412) is ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one.
What is the SMILES notation for ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one?
The canonical SMILES for ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one is CC1=C(C)C(=O)CC(C)(C)C1.CCN.
What is the InChIKey of ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one?
The InChIKey is UTFVYQPZHKEDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C2H7N/c1-7-5-10(3,4)6-9(11)8(7)2;1-2-3/h5-6H2,1-4H3;2-3H2,1H3.
What are the key properties of ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one?
ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one is sourced from PubChem (CID 175273412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).