2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one

C14H21NO2 — CID 62616864

IUPAC2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1occc1CN(C)CC1CCCCC1=O
InChIInChI=1S/C14H21NO2/c1-11-12(7-8-17-11)9-15(2)10-13-5-3-4-6-14(13)16/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyIIYPJXXWLFCIHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds4

About 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one

2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 62616864) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID62616864
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCc1occc1CN(C)CC1CCCCC1=O
InChIInChI=1S/C14H21NO2/c1-11-12(7-8-17-11)9-15(2)10-13-5-3-4-6-14(13)16/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyIIYPJXXWLFCIHH-UHFFFAOYSA-N
XLogP2.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one (CID 62616864) is 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one is Cc1occc1CN(C)CC1CCCCC1=O.
What is the InChIKey of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is IIYPJXXWLFCIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-12(7-8-17-11)9-15(2)10-13-5-3-4-6-14(13)16/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one?
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62616864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).