1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

C14H24N4O2 — CID 115437134

IUPAC1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CCc1nnnn1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N4O2/c1-11(2)6-7-12-15-16-17-18(12)10-14(13(19)20)8-4-3-5-9-14/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyHCWHNLIYXYWUKF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds6

About 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115437134) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID115437134
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)CCc1nnnn1CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H24N4O2/c1-11(2)6-7-12-15-16-17-18(12)10-14(13(19)20)8-4-3-5-9-14/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyHCWHNLIYXYWUKF-UHFFFAOYSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-[(dimethylamino)methyl]tetrazol-1-yl]methyl]cycloheptane-1-carboxylic acid
CID 115444923
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 103213522
1-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 103213526
1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437179
4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440757
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole
CID 137470788
1-[[5-(1-methylsulfonylethyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 104522842
1-[(5-heptan-3-yltetrazol-1-yl)methyl]cyclobutane-1-carboxylic acid
CID 115447217

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 115437134) is 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is CC(C)CCc1nnnn1CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HCWHNLIYXYWUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)6-7-12-15-16-17-18(12)10-14(13(19)20)8-4-3-5-9-14/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115437134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).