[5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine

C14H24FN3 — CID 143554115

IUPAC[5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine
SMILESCCCn1cnc(C2CCC(F)CC2C)c1CN
InChIInChI=1S/C14H24FN3/c1-3-6-18-9-17-14(13(18)8-16)12-5-4-11(15)7-10(12)2/h9-12H,3-8,16H2,1-2H3
InChIKeyQXXLFWLUVKFHMI-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.99
Rot. Bonds4

About [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine

[5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine (PubChem CID 143554115) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine
PubChem CID143554115
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name[5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine
SMILESCCCn1cnc(C2CCC(F)CC2C)c1CN
InChIInChI=1S/C14H24FN3/c1-3-6-18-9-17-14(13(18)8-16)12-5-4-11(15)7-10(12)2/h9-12H,3-8,16H2,1-2H3
InChIKeyQXXLFWLUVKFHMI-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine?
The IUPAC name of [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine (CID 143554115) is [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine?
The canonical SMILES for [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine is CCCn1cnc(C2CCC(F)CC2C)c1CN.
What is the InChIKey of [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine?
The InChIKey is QXXLFWLUVKFHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-3-6-18-9-17-14(13(18)8-16)12-5-4-11(15)7-10(12)2/h9-12H,3-8,16H2,1-2H3.
What are the key properties of [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine?
[5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine has a molecular weight of 253.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-2-methylcyclohexyl)-3-propylimidazol-4-yl]methanamine is sourced from PubChem (CID 143554115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).