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

C14H24N2O — CID 106253467

IUPAC3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCC1=CC(C)CC(CNC2CCN(C)C2=O)C1
InChIInChI=1S/C14H24N2O/c1-10-6-11(2)8-12(7-10)9-15-13-4-5-16(3)14(13)17/h6,10,12-13,15H,4-5,7-9H2,1-3H3
InChIKeyILLUCQLUCINHCK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds3

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

3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one (PubChem CID 106253467) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
PubChem CID106253467
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
SMILESCC1=CC(C)CC(CNC2CCN(C)C2=O)C1
InChIInChI=1S/C14H24N2O/c1-10-6-11(2)8-12(7-10)9-15-13-4-5-16(3)14(13)17/h6,10,12-13,15H,4-5,7-9H2,1-3H3
InChIKeyILLUCQLUCINHCK-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
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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Related Compounds

1-methyl-3-[(3-methylcyclopentyl)methylamino]pyrrolidin-2-one
CID 107412677
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855
1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
CID 103276499
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 103276215
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122679
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1-dioxothian-3-amine
CID 103276802
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103277043
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide
CID 103277030
1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106257211

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one (CID 106253467) is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one is CC1=CC(C)CC(CNC2CCN(C)C2=O)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one?
The InChIKey is ILLUCQLUCINHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-6-11(2)8-12(7-10)9-15-13-4-5-16(3)14(13)17/h6,10,12-13,15H,4-5,7-9H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one?
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106253467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).