2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one

C16H25NO2 — CID 64736787

IUPAC2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCCN(Cc1ccco1)CC1C(=O)CC(C)CC1C
InChIInChI=1S/C16H25NO2/c1-4-17(10-14-6-5-7-19-14)11-15-13(3)8-12(2)9-16(15)18/h5-7,12-13,15H,4,8-11H2,1-3H3
InChIKeyQCTZVUOXFNZYSH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.35
Rot. Bonds5

About 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one

2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64736787) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64736787
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCCN(Cc1ccco1)CC1C(=O)CC(C)CC1C
InChIInChI=1S/C16H25NO2/c1-4-17(10-14-6-5-7-19-14)11-15-13(3)8-12(2)9-16(15)18/h5-7,12-13,15H,4,8-11H2,1-3H3
InChIKeyQCTZVUOXFNZYSH-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737367
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
2-[(N-ethyl-2-methylanilino)methyl]-3,5-dimethylcyclohexan-1-one
CID 64735996
2-[[benzyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735593
2-[[(2-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-one
CID 64735603
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
CID 79315304
N-[(1-ethylpyrrolidin-3-yl)methyl]-N-(furan-2-ylmethyl)ethanamine
CID 50985473
N-ethyl-4-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-3-amine
CID 66259331
2-[[furan-2-ylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64734697
3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one
CID 64736206
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one (CID 64736787) is 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one is CCN(Cc1ccco1)CC1C(=O)CC(C)CC1C.
What is the InChIKey of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is QCTZVUOXFNZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17(10-14-6-5-7-19-14)11-15-13(3)8-12(2)9-16(15)18/h5-7,12-13,15H,4,8-11H2,1-3H3.
What are the key properties of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one?
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64736787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).