N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine

C15H23NO2 — CID 116871295

IUPACN-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine
SMILESCNC1CCC(C2(c3ccc(C)o3)COC2)CC1
InChIInChI=1S/C15H23NO2/c1-11-3-8-14(18-11)15(9-17-10-15)12-4-6-13(16-2)7-5-12/h3,8,12-13,16H,4-7,9-10H2,1-2H3
InChIKeyKRGFECOFGYXWRJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.63
Rot. Bonds3

About N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine

N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine (PubChem CID 116871295) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine
PubChem CID116871295
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine
SMILESCNC1CCC(C2(c3ccc(C)o3)COC2)CC1
InChIInChI=1S/C15H23NO2/c1-11-3-8-14(18-11)15(9-17-10-15)12-4-6-13(16-2)7-5-12/h3,8,12-13,16H,4-7,9-10H2,1-2H3
InChIKeyKRGFECOFGYXWRJ-UHFFFAOYSA-N
XLogP2.63
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine (CID 116871295) is N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine is CNC1CCC(C2(c3ccc(C)o3)COC2)CC1.
What is the InChIKey of N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine?
The InChIKey is KRGFECOFGYXWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-3-8-14(18-11)15(9-17-10-15)12-4-6-13(16-2)7-5-12/h3,8,12-13,16H,4-7,9-10H2,1-2H3.
What are the key properties of N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine?
N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(5-methylfuran-2-yl)oxetan-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 116871295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).