1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H23NO3 — CID 55055654

IUPAC1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1occc1CN(C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H23NO3/c1-12-13(6-9-19-12)10-16(2)11-15(14(17)18)7-4-3-5-8-15/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyIRRQUTPYKFMOLW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.05
Rot. Bonds5

About 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 55055654) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID55055654
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1occc1CN(C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H23NO3/c1-12-13(6-9-19-12)10-16(2)11-15(14(17)18)7-4-3-5-8-15/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyIRRQUTPYKFMOLW-UHFFFAOYSA-N
XLogP3.05
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 65010470
1-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62270870
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 104678002
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219
1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62271978
1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246561
3-methyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]but-2-enoic acid
CID 77006372
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 55055654) is 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1occc1CN(C)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is IRRQUTPYKFMOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-13(6-9-19-12)10-16(2)11-15(14(17)18)7-4-3-5-8-15/h6,9H,3-5,7-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55055654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).