2-cyclohexylidene-N,N-diethylpropanamide

C13H23NO — CID 102303656

IUPAC2-cyclohexylidene-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)=C1CCCCC1
InChIInChI=1S/C13H23NO/c1-4-14(5-2)13(15)11(3)12-9-7-6-8-10-12/h4-10H2,1-3H3
InChIKeyDKLUADDUJPBFBR-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclohexylidene-N,N-diethylpropanamide

2-cyclohexylidene-N,N-diethylpropanamide (PubChem CID 102303656) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclohexylidene-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-cyclohexylidene-N,N-diethylpropanamide
PubChem CID102303656
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclohexylidene-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)=C1CCCCC1
InChIInChI=1S/C13H23NO/c1-4-14(5-2)13(15)11(3)12-9-7-6-8-10-12/h4-10H2,1-3H3
InChIKeyDKLUADDUJPBFBR-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-N,N-diethyl-2-methyldec-2-enamide
CID 12124211
N,N,3-triethyl-2-methylpent-2-enamide
CID 102303654
(E)-N,N-diethyl-2,3-dimethylhex-2-enamide
CID 102303658
(E)-N,N-diethyl-2-methylnon-2-enamide
CID 102019648
1,2,3,6,7-Pentamethyl-4,5-dihydroazocin-8-one
CID 123983578
(E)-N,N-diethyl-2,3-dimethylhept-2-enamide
CID 137429133
(E)-N-ethyl-N,2-dimethylnon-2-enamide
CID 139971563
N-ethyl-N,2-dimethylnon-2-enamide
CID 140860510
N,N-diethyl-2-methylnon-2-enamide
CID 141136106
ethane;1,5,6-trimethyl-3,4-dihydro-2H-azepin-7-one
CID 143492078

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N,N-diethylpropanamide?
The IUPAC name of 2-cyclohexylidene-N,N-diethylpropanamide (CID 102303656) is 2-cyclohexylidene-N,N-diethylpropanamide.
What is the SMILES notation for 2-cyclohexylidene-N,N-diethylpropanamide?
The canonical SMILES for 2-cyclohexylidene-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-N,N-diethylpropanamide?
The InChIKey is DKLUADDUJPBFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-14(5-2)13(15)11(3)12-9-7-6-8-10-12/h4-10H2,1-3H3.
What are the key properties of 2-cyclohexylidene-N,N-diethylpropanamide?
2-cyclohexylidene-N,N-diethylpropanamide has a molecular weight of 209.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N,N-diethylpropanamide is sourced from PubChem (CID 102303656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).