methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate

C14H21NO3 — CID 43775479

IUPACmethyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1CCCC(C)C1
InChIInChI=1S/C14H21NO3/c1-10-4-3-5-12(8-10)15-9-11-6-7-18-13(11)14(16)17-2/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyLPBCPIOWDPSYOR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.73
Rot. Bonds4

About methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate

methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate (PubChem CID 43775479) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate
PubChem CID43775479
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC1CCCC(C)C1
InChIInChI=1S/C14H21NO3/c1-10-4-3-5-12(8-10)15-9-11-6-7-18-13(11)14(16)17-2/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyLPBCPIOWDPSYOR-UHFFFAOYSA-N
XLogP2.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(3-hydroxycyclohexyl)amino]methyl]furan-2-carboxylate
CID 43792335
methyl 3-[[(3-methylsulfanylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 113352461
methyl 3-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 103965695
methyl 3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]furan-2-carboxylate
CID 43769638
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[(2-tert-butylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 43435730
3-[(3-methylcyclohexyl)oxymethyl]furan-2-carboxylic acid
CID 43153163
methyl 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]furan-2-carboxylate
CID 43792626
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate (CID 43775479) is methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC1CCCC(C)C1.
What is the InChIKey of methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate?
The InChIKey is LPBCPIOWDPSYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-4-3-5-12(8-10)15-9-11-6-7-18-13(11)14(16)17-2/h6-7,10,12,15H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate?
methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3-methylcyclohexyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43775479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).