methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate

C15H23NO3 — CID 39903877

IUPACmethyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C2CCCCC2)oc1C
InChIInChI=1S/C15H23NO3/c1-11-14(15(17)18-3)9-13(19-11)10-16(2)12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3
InChIKeyDVPCCKPNMKZCDJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.14
Rot. Bonds4

About methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 39903877) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID39903877
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C2CCCCC2)oc1C
InChIInChI=1S/C15H23NO3/c1-11-14(15(17)18-3)9-13(19-11)10-16(2)12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3
InChIKeyDVPCCKPNMKZCDJ-UHFFFAOYSA-N
XLogP3.14
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 100904757
methyl 5-[[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 98706938
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899184
5-[[cycloheptyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 63572192
5-[[cyclohexyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 55214014
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 5-[(E)-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 17408987
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcyclohexanamine
CID 62424073
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 64929855

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 39903877) is methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C2CCCCC2)oc1C.
What is the InChIKey of methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is DVPCCKPNMKZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-14(15(17)18-3)9-13(19-11)10-16(2)12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3.
What are the key properties of methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 39903877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).