2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide

C13H24N2O — CID 97240049

IUPAC2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC[C@@H]1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-13(2,12(16)15(3)4)14-10-11-8-6-5-7-9-11/h5-6,11,14H,7-10H2,1-4H3/t11-/m1/s1
InChIKeyMPCJJSIILVUAIR-LLVKDONJSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds4

About 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide

2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide (PubChem CID 97240049) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
PubChem CID97240049
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC[C@@H]1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-13(2,12(16)15(3)4)14-10-11-8-6-5-7-9-11/h5-6,11,14H,7-10H2,1-4H3/t11-/m1/s1
InChIKeyMPCJJSIILVUAIR-LLVKDONJSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide (CID 97240049) is 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)NC[C@@H]1CC=CCC1.
What is the InChIKey of 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide?
The InChIKey is MPCJJSIILVUAIR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,12(16)15(3)4)14-10-11-8-6-5-7-9-11/h5-6,11,14H,7-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide?
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 97240049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).