2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid

C14H23N3O2 — CID 65243411

IUPAC2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
SMILESCCn1ccnc1N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-10-9-15-13(17)16(2)14(11-12(18)19)7-5-4-6-8-14/h9-10H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyBTFAMECQGKRFQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid

2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid (PubChem CID 65243411) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
PubChem CID65243411
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
SMILESCCn1ccnc1N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-10-9-15-13(17)16(2)14(11-12(18)19)7-5-4-6-8-14/h9-10H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyBTFAMECQGKRFQC-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid (CID 65243411) is 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid is CCn1ccnc1N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid?
The InChIKey is BTFAMECQGKRFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-10-9-15-13(17)16(2)14(11-12(18)19)7-5-4-6-8-14/h9-10H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid?
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid has a molecular weight of 265.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65243411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).