2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide

C13H24N2O — CID 62324148

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCCC1=CCCCC1
InChIInChI=1S/C13H24N2O/c1-3-15(2)13(16)11-14-10-9-12-7-5-4-6-8-12/h7,14H,3-6,8-11H2,1-2H3
InChIKeyNUPDJRBVJIMVNS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide (PubChem CID 62324148) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide
PubChem CID62324148
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCCC1=CCCCC1
InChIInChI=1S/C13H24N2O/c1-3-15(2)13(16)11-14-10-9-12-7-5-4-6-8-12/h7,14H,3-6,8-11H2,1-2H3
InChIKeyNUPDJRBVJIMVNS-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
CID 54815769
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54815369
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
CID 25246872
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857
ethyl 4-[2-(cyclohexen-1-yl)ethylamino]-4-oxobut-2-enoate
CID 3319039

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide (CID 62324148) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide?
The InChIKey is NUPDJRBVJIMVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-15(2)13(16)11-14-10-9-12-7-5-4-6-8-12/h7,14H,3-6,8-11H2,1-2H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide has a molecular weight of 224.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 62324148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).