4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one

C14H26N2O — CID 115240224

IUPAC4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCN1CCC(CN(C)CC2CCC(=O)CC2)C1
InChIInChI=1S/C14H26N2O/c1-15-8-7-13(10-15)11-16(2)9-12-3-5-14(17)6-4-12/h12-13H,3-11H2,1-2H3
InChIKeyWKPSCUFHJDMVJY-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds4

About 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one

4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 115240224) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID115240224
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCN1CCC(CN(C)CC2CCC(=O)CC2)C1
InChIInChI=1S/C14H26N2O/c1-15-8-7-13(10-15)11-16(2)9-12-3-5-14(17)6-4-12/h12-13H,3-11H2,1-2H3
InChIKeyWKPSCUFHJDMVJY-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240223
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296
4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-one
CID 115240121
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63236354
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
N-methyl-N-[(3-methylcyclobutyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 176641060

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one (CID 115240224) is 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one is CN1CCC(CN(C)CC2CCC(=O)CC2)C1.
What is the InChIKey of 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is WKPSCUFHJDMVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-8-7-13(10-15)11-16(2)9-12-3-5-14(17)6-4-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one?
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).