methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate

C14H23N3O2 — CID 75504143

IUPACmethyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNCc2nccn2C)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-9-8-16-12(17)10-15-11-14(13(18)19-2)6-4-3-5-7-14/h8-9,15H,3-7,10-11H2,1-2H3
InChIKeyIJYUPQNFTZAABY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.63
Rot. Bonds5

About methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate

methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate (PubChem CID 75504143) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate
PubChem CID75504143
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNCc2nccn2C)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-9-8-16-12(17)10-15-11-14(13(18)19-2)6-4-3-5-7-14/h8-9,15H,3-7,10-11H2,1-2H3
InChIKeyIJYUPQNFTZAABY-UHFFFAOYSA-N
XLogP1.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate (CID 75504143) is methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNCc2nccn2C)CCCCC1.
What is the InChIKey of methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate?
The InChIKey is IJYUPQNFTZAABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-9-8-16-12(17)10-15-11-14(13(18)19-2)6-4-3-5-7-14/h8-9,15H,3-7,10-11H2,1-2H3.
What are the key properties of methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate?
methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 75504143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).