2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one

C16H25NO2 — CID 79852369

IUPAC2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1occc1CN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C16H25NO2/c1-12-13(7-9-19-12)10-17(4)11-14-6-5-8-16(2,3)15(14)18/h7,9,14H,5-6,8,10-11H2,1-4H3
InChIKeyPRHAZSZTQMDCHX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.42
Rot. Bonds4

About 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one

2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 79852369) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID79852369
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1occc1CN(C)CC1CCCC(C)(C)C1=O
InChIInChI=1S/C16H25NO2/c1-12-13(7-9-19-12)10-17(4)11-14-6-5-8-16(2,3)15(14)18/h7,9,14H,5-6,8,10-11H2,1-4H3
InChIKeyPRHAZSZTQMDCHX-UHFFFAOYSA-N
XLogP3.42
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62616864
6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852724
4-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 55094882
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
N-ethyl-2,2-dimethyl-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79856167
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852374

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one (CID 79852369) is 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one is Cc1occc1CN(C)CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is PRHAZSZTQMDCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-13(7-9-19-12)10-17(4)11-14-6-5-8-16(2,3)15(14)18/h7,9,14H,5-6,8,10-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 79852369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).