methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate

C17H27NO3 — CID 103965695

IUPACmethyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H27NO3/c1-16(2)8-13(9-17(3,4)11-16)18-10-12-6-7-21-14(12)15(19)20-5/h6-7,13,18H,8-11H2,1-5H3
InChIKeyDKDMBIKETOVWCC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.76
Rot. Bonds4

About methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate

methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate (PubChem CID 103965695) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate
PubChem CID103965695
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H27NO3/c1-16(2)8-13(9-17(3,4)11-16)18-10-12-6-7-21-14(12)15(19)20-5/h6-7,13,18H,8-11H2,1-5H3
InChIKeyDKDMBIKETOVWCC-UHFFFAOYSA-N
XLogP3.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate
CID 43769638
methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43775479
methyl 3-[[(3-hydroxycyclohexyl)amino]methyl]furan-2-carboxylate
CID 43792335
methyl 3-[[(3-methylsulfanylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 113352461
methyl 3-[[(2-tert-butylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43435730
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
CID 115924474
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]furan-2-carboxylate
CID 43792626
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate (CID 103965695) is methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate?
The InChIKey is DKDMBIKETOVWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2)8-13(9-17(3,4)11-16)18-10-12-6-7-21-14(12)15(19)20-5/h6-7,13,18H,8-11H2,1-5H3.
What are the key properties of methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate?
methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103965695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).