methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate

C15H23NO3 — CID 115149306

IUPACmethyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NCCc2ccc(C)o2)CC1
InChIInChI=1S/C15H23NO3/c1-11-3-8-14(19-11)9-10-16-13-6-4-12(5-7-13)15(17)18-2/h3,8,12-13,16H,4-7,9-10H2,1-2H3
InChIKeyQGOLBYPECUKJFM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.45
Rot. Bonds5

About methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate

methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate (PubChem CID 115149306) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
PubChem CID115149306
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NCCc2ccc(C)o2)CC1
InChIInChI=1S/C15H23NO3/c1-11-3-8-14(19-11)9-10-16-13-6-4-12(5-7-13)15(17)18-2/h3,8,12-13,16H,4-7,9-10H2,1-2H3
InChIKeyQGOLBYPECUKJFM-UHFFFAOYSA-N
XLogP2.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-1-(furan-2-yl)pentan-3-amine
CID 172465859
Furfurylmethylamphet amine
CID 54037812
benzyl N-[(2R)-5-(5-butylfuran-2-yl)pentan-2-yl]carbamate
CID 134874914
N-[(1S,2R)-2-(furan-2-yl)cyclohexyl]acetamide
CID 134958195
N-[1-(furan-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62632717
N-[1-(furan-2-yl)propan-2-yl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 63083961
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 63085480
N-[1-(furan-2-yl)propan-2-yl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 63085837
N-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 63086178
N-[2-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756076
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757656
N-[2-(furan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759404

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate (CID 115149306) is methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NCCc2ccc(C)o2)CC1.
What is the InChIKey of methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate?
The InChIKey is QGOLBYPECUKJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-3-8-14(19-11)9-10-16-13-6-4-12(5-7-13)15(17)18-2/h3,8,12-13,16H,4-7,9-10H2,1-2H3.
What are the key properties of methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate?
methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115149306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).