2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine

C12H24FN — CID 112566172

IUPAC2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)C1CC(C)CC(C)C1
InChIInChI=1S/C12H24FN/c1-4-12(13,8-14)11-6-9(2)5-10(3)7-11/h9-11H,4-8,14H2,1-3H3
InChIKeyFPPZMBLCNJQOCE-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.14
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine

2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine (PubChem CID 112566172) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine
PubChem CID112566172
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine
SMILESCCC(F)(CN)C1CC(C)CC(C)C1
InChIInChI=1S/C12H24FN/c1-4-12(13,8-14)11-6-9(2)5-10(3)7-11/h9-11H,4-8,14H2,1-3H3
InChIKeyFPPZMBLCNJQOCE-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
CID 112565905
4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392563
2-(3,5-dimethylcyclohexyl)-2-methylbutanenitrile
CID 126977224
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239888
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 62262959
2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
CID 112567040
2-cyclohexyl-2-fluoropropane-1,3-diamine;dihydrochloride
CID 122239786
2-cyclopropyl-2-(3,4-dimethylcyclohexyl)-2-fluoroethanamine
CID 112567071
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
2-[3-methyl-5-(trifluoromethyl)cyclohexyl]propan-2-yl 2,2-dimethylbutanoate
CID 129085446

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine (CID 112566172) is 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine is CCC(F)(CN)C1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine?
The InChIKey is FPPZMBLCNJQOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-4-12(13,8-14)11-6-9(2)5-10(3)7-11/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine?
2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine is sourced from PubChem (CID 112566172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).