2-amino-1-(1,4-dimethylcyclohexyl)ethanone

C10H19NO — CID 70477833

IUPAC2-amino-1-(1,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C)(C(=O)CN)CC1
InChIInChI=1S/C10H19NO/c1-8-3-5-10(2,6-4-8)9(12)7-11/h8H,3-7,11H2,1-2H3
InChIKeyZHMILILVBKFQGP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-1-(1,4-dimethylcyclohexyl)ethanone

2-amino-1-(1,4-dimethylcyclohexyl)ethanone (PubChem CID 70477833) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-amino-1-(1,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,4-dimethylcyclohexyl)ethanone
PubChem CID70477833
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-amino-1-(1,4-dimethylcyclohexyl)ethanone
SMILESCC1CCC(C)(C(=O)CN)CC1
InChIInChI=1S/C10H19NO/c1-8-3-5-10(2,6-4-8)9(12)7-11/h8H,3-7,11H2,1-2H3
InChIKeyZHMILILVBKFQGP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-amino-1-(1,4-dimethylcyclohexyl)ethanone (CID 70477833) is 2-amino-1-(1,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-amino-1-(1,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-amino-1-(1,4-dimethylcyclohexyl)ethanone is CC1CCC(C)(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-(1,4-dimethylcyclohexyl)ethanone?
The InChIKey is ZHMILILVBKFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-3-5-10(2,6-4-8)9(12)7-11/h8H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-1-(1,4-dimethylcyclohexyl)ethanone?
2-amino-1-(1,4-dimethylcyclohexyl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 70477833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).