2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide

C11H20N2O — CID 103275914

IUPAC2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide
SMILESCC1=CC(C)CC(CNCC(N)=O)C1
InChIInChI=1S/C11H20N2O/c1-8-3-9(2)5-10(4-8)6-13-7-11(12)14/h3,8,10,13H,4-7H2,1-2H3,(H2,12,14)
InChIKeyKKCOECWYANIRLS-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.05
Rot. Bonds4

About 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide (PubChem CID 103275914) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide
PubChem CID103275914
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide
SMILESCC1=CC(C)CC(CNCC(N)=O)C1
InChIInChI=1S/C11H20N2O/c1-8-3-9(2)5-10(4-8)6-13-7-11(12)14/h3,8,10,13H,4-7H2,1-2H3,(H2,12,14)
InChIKeyKKCOECWYANIRLS-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide?
The IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide (CID 103275914) is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide?
The canonical SMILES for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide is CC1=CC(C)CC(CNCC(N)=O)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide?
The InChIKey is KKCOECWYANIRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-3-9(2)5-10(4-8)6-13-7-11(12)14/h3,8,10,13H,4-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide?
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide has a molecular weight of 196.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetamide is sourced from PubChem (CID 103275914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).