4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one

C15H23NO2 — CID 55094882

IUPAC4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1occc1CN(C)CC1CC(C)CCC1=O
InChIInChI=1S/C15H23NO2/c1-11-4-5-15(17)14(8-11)10-16(3)9-13-6-7-18-12(13)2/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyLVCFIRSUZLOSTK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds4

About 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one

4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 55094882) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID55094882
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1occc1CN(C)CC1CC(C)CCC1=O
InChIInChI=1S/C15H23NO2/c1-11-4-5-15(17)14(8-11)10-16(3)9-13-6-7-18-12(13)2/h6-7,11,14H,4-5,8-10H2,1-3H3
InChIKeyLVCFIRSUZLOSTK-UHFFFAOYSA-N
XLogP3.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[methyl-[(2-methylfuran-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

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62616864
4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613387
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
3,5-dimethyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 64737262
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
CID 62612853
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 62612208
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704331
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707768
2-(diethylaminomethyl)-4-methylcyclohexan-1-one
CID 62611674
N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine
CID 66245971

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one (CID 55094882) is 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one is Cc1occc1CN(C)CC1CC(C)CCC1=O.
What is the InChIKey of 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is LVCFIRSUZLOSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-5-15(17)14(8-11)10-16(3)9-13-6-7-18-12(13)2/h6-7,11,14H,4-5,8-10H2,1-3H3.
What are the key properties of 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 249.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 55094882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).