4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid

C11H19N5O2 — CID 113310410

IUPAC4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNc2nnnn2C)(C(=O)O)CC1
InChIInChI=1S/C11H19N5O2/c1-8-3-5-11(6-4-8,9(17)18)7-12-10-13-14-15-16(10)2/h8H,3-7H2,1-2H3,(H,17,18)(H,12,13,15)
InChIKeyVEDBNGTWVXVESB-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.90
Rot. Bonds4

About 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 113310410) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID113310410
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNc2nnnn2C)(C(=O)O)CC1
InChIInChI=1S/C11H19N5O2/c1-8-3-5-11(6-4-8,9(17)18)7-12-10-13-14-15-16(10)2/h8H,3-7H2,1-2H3,(H,17,18)(H,12,13,15)
InChIKeyVEDBNGTWVXVESB-UHFFFAOYSA-N
XLogP0.90
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441125
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine
CID 65028310
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
N-[[1-(dimethylamino)cyclopropyl]methyl]-1-methyltetrazol-5-amine
CID 127017131
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113310399
4-methyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107057485
4-methyl-1-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 104709737
1-[[(4-cyanopyridazin-3-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441158
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyltetrazol-5-amine
CID 115363664
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441154

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 113310410) is 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(CNc2nnnn2C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VEDBNGTWVXVESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-3-5-11(6-4-8,9(17)18)7-12-10-13-14-15-16(10)2/h8H,3-7H2,1-2H3,(H,17,18)(H,12,13,15).
What are the key properties of 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113310410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).