3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol

C14H25N3O2 — CID 141424881

IUPAC3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol
SMILESCCNC1CCCC(O)(c2cncn2CCOC)C1
InChIInChI=1S/C14H25N3O2/c1-3-16-12-5-4-6-14(18,9-12)13-10-15-11-17(13)7-8-19-2/h10-12,16,18H,3-9H2,1-2H3
InChIKeyHMJBLHNZVKGGJX-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.27
Rot. Bonds6

About 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol

3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol (PubChem CID 141424881) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol
PubChem CID141424881
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol
SMILESCCNC1CCCC(O)(c2cncn2CCOC)C1
InChIInChI=1S/C14H25N3O2/c1-3-16-12-5-4-6-14(18,9-12)13-10-15-11-17(13)7-8-19-2/h10-12,16,18H,3-9H2,1-2H3
InChIKeyHMJBLHNZVKGGJX-UHFFFAOYSA-N
XLogP1.27
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol?
The IUPAC name of 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol (CID 141424881) is 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol is CCNC1CCCC(O)(c2cncn2CCOC)C1.
What is the InChIKey of 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol?
The InChIKey is HMJBLHNZVKGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-16-12-5-4-6-14(18,9-12)13-10-15-11-17(13)7-8-19-2/h10-12,16,18H,3-9H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol?
3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[3-(2-methoxyethyl)imidazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 141424881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).