4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine

C11H18FN3 — CID 112562516

IUPAC4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine
SMILESCCn1ccnc1C1(F)CCC(N)CC1
InChIInChI=1S/C11H18FN3/c1-2-15-8-7-14-10(15)11(12)5-3-9(13)4-6-11/h7-9H,2-6,13H2,1H3
InChIKeyUHGDXRQEJZTQFC-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.97
Rot. Bonds2

About 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine

4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine (PubChem CID 112562516) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine
PubChem CID112562516
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine
SMILESCCn1ccnc1C1(F)CCC(N)CC1
InChIInChI=1S/C11H18FN3/c1-2-15-8-7-14-10(15)11(12)5-3-9(13)4-6-11/h7-9H,2-6,13H2,1H3
InChIKeyUHGDXRQEJZTQFC-UHFFFAOYSA-N
XLogP1.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 63975652
1-(1-ethylimidazol-2-yl)-2,2-dimethylcyclobutan-1-ol
CID 130554985
3-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63975851
4-(1-ethylimidazol-2-yl)piperidin-4-ol
CID 63975654
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
4-fluoro-4-(2-methyltriazol-4-yl)cyclohexan-1-amine
CID 130603305
1-(1-ethylimidazol-2-yl)-2-phenylcyclohexan-1-ol
CID 63974580
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
3-methyl-3-(1-methylimidazol-2-yl)cyclopentan-1-amine
CID 116538901
3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
CID 79111761
2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine (CID 112562516) is 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine is CCn1ccnc1C1(F)CCC(N)CC1.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine?
The InChIKey is UHGDXRQEJZTQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-2-15-8-7-14-10(15)11(12)5-3-9(13)4-6-11/h7-9H,2-6,13H2,1H3.
What are the key properties of 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine?
4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).