2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide

C16H28N2O — CID 79110452

IUPAC2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
SMILESCNC1CCC(N(C)C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O/c1-17-14-8-10-15(11-9-14)18(2)16(19)12-13-6-4-3-5-7-13/h6,14-15,17H,3-5,7-12H2,1-2H3
InChIKeyMQYZVNGLSQCANH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.87
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide

2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide (PubChem CID 79110452) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
PubChem CID79110452
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
SMILESCNC1CCC(N(C)C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O/c1-17-14-8-10-15(11-9-14)18(2)16(19)12-13-6-4-3-5-7-13/h6,14-15,17H,3-5,7-12H2,1-2H3
InChIKeyMQYZVNGLSQCANH-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 63564422
2-(cyclohexen-1-yl)-N-methyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)acetamide
CID 91922642
3-[[2-(cyclohexen-1-yl)acetyl]-cyclopropylamino]propanoic acid
CID 63564407
2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
CID 63563829
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66235736
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
N,3,3-trimethyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79122316
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
2-(cyclohexen-1-yl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79721199
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]benzoic acid
CID 104698196
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide (CID 79110452) is 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide is CNC1CCC(N(C)C(=O)CC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
The InChIKey is MQYZVNGLSQCANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-17-14-8-10-15(11-9-14)18(2)16(19)12-13-6-4-3-5-7-13/h6,14-15,17H,3-5,7-12H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide has a molecular weight of 264.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 79110452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).