2-amino-2,3-dimethylcyclohexan-1-one

C8H15NO — CID 141130912

IUPAC2-amino-2,3-dimethylcyclohexan-1-one
SMILESCC1CCCC(=O)C1(C)N
InChIInChI=1S/C8H15NO/c1-6-4-3-5-7(10)8(6,2)9/h6H,3-5,9H2,1-2H3
InChIKeyYNNVEQKTJGVHRY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds

About 2-amino-2,3-dimethylcyclohexan-1-one

2-amino-2,3-dimethylcyclohexan-1-one (PubChem CID 141130912) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-amino-2,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2,3-dimethylcyclohexan-1-one
PubChem CID141130912
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-amino-2,3-dimethylcyclohexan-1-one
SMILESCC1CCCC(=O)C1(C)N
InChIInChI=1S/C8H15NO/c1-6-4-3-5-7(10)8(6,2)9/h6H,3-5,9H2,1-2H3
InChIKeyYNNVEQKTJGVHRY-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dimethylcyclohexan-1-one?
The IUPAC name of 2-amino-2,3-dimethylcyclohexan-1-one (CID 141130912) is 2-amino-2,3-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-amino-2,3-dimethylcyclohexan-1-one?
The canonical SMILES for 2-amino-2,3-dimethylcyclohexan-1-one is CC1CCCC(=O)C1(C)N.
What is the InChIKey of 2-amino-2,3-dimethylcyclohexan-1-one?
The InChIKey is YNNVEQKTJGVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-3-5-7(10)8(6,2)9/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-2,3-dimethylcyclohexan-1-one?
2-amino-2,3-dimethylcyclohexan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 141130912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).