2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide

C11H22N2O — CID 65236459

IUPAC2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(N)=O)CCC(C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-8-4-5-11(13-3,6-9(8)2)7-10(12)14/h8-9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyBOVDONVLASBTGB-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds3

About 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide

2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide (PubChem CID 65236459) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide
PubChem CID65236459
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(N)=O)CCC(C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-8-4-5-11(13-3,6-9(8)2)7-10(12)14/h8-9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyBOVDONVLASBTGB-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide (CID 65236459) is 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide is CNC1(CC(N)=O)CCC(C)C(C)C1.
What is the InChIKey of 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide?
The InChIKey is BOVDONVLASBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-4-5-11(13-3,6-9(8)2)7-10(12)14/h8-9,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide?
2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65236459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).