4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid

C12H19N3O2 — CID 60810197

IUPAC4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCn2ccnc2)CC1
InChIInChI=1S/C12H19N3O2/c16-12(17)10-1-3-11(4-2-10)14-6-8-15-7-5-13-9-15/h5,7,9-11,14H,1-4,6,8H2,(H,16,17)
InChIKeyRUUXYEUVRNYXNG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds5

About 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid

4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid (PubChem CID 60810197) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
PubChem CID60810197
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCn2ccnc2)CC1
InChIInChI=1S/C12H19N3O2/c16-12(17)10-1-3-11(4-2-10)14-6-8-15-7-5-13-9-15/h5,7,9-11,14H,1-4,6,8H2,(H,16,17)
InChIKeyRUUXYEUVRNYXNG-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid
CID 114451021
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
CID 107906738
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
2-imidazol-1-ylethylurea
CID 61061185
(E)-3-(2-imidazol-1-ylethylamino)prop-2-enoic acid
CID 103247770
tert-butyl 6-(2-imidazol-1-ylethylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
CID 154766307

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid (CID 60810197) is 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCn2ccnc2)CC1.
What is the InChIKey of 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RUUXYEUVRNYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(17)10-1-3-11(4-2-10)14-6-8-15-7-5-13-9-15/h5,7,9-11,14H,1-4,6,8H2,(H,16,17).
What are the key properties of 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid?
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).