1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid

C14H23N3O2 — CID 79641596

IUPAC1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)12-16-7-8-17(12)11-5-4-6-14(9-11,15-3)13(18)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyGZCNRUQWCLHIAR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.16
Rot. Bonds4

About 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid

1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 79641596) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID79641596
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C14H23N3O2/c1-10(2)12-16-7-8-17(12)11-5-4-6-14(9-11,15-3)13(18)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyGZCNRUQWCLHIAR-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79651528
1-(ethylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxamide
CID 79641725
1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79650812
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
1-(cyclopropylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79634409
2-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 63074431
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 113336096
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637304
1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 79637825
3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637461
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
1-(methylamino)-3-(1-oxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 79641414

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid (CID 79641596) is 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid is CNC1(C(=O)O)CCCC(n2ccnc2C(C)C)C1.
What is the InChIKey of 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GZCNRUQWCLHIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)12-16-7-8-17(12)11-5-4-6-14(9-11,15-3)13(18)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid?
1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-propan-2-ylimidazol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).