4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine

C13H24FN — CID 112562280

IUPAC4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(C2(F)CCC(N)CC2)CC1
InChIInChI=1S/C13H24FN/c1-10-2-4-11(5-3-10)13(14)8-6-12(15)7-9-13/h10-12H,2-9,15H2,1H3
InChIKeyUUVJIFJOULSLFV-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.42
Rot. Bonds1

About 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine

4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 112562280) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
PubChem CID112562280
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(C2(F)CCC(N)CC2)CC1
InChIInChI=1S/C13H24FN/c1-10-2-4-11(5-3-10)13(14)8-6-12(15)7-9-13/h10-12H,2-9,15H2,1H3
InChIKeyUUVJIFJOULSLFV-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methylcyclohexan-1-amine
CID 142937577
ethane;methanol;4-methylcyclohexan-1-amine
CID 142967747
1-fluorobicyclo[2.2.0]hexane
CID 91806231
3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
CID 80561498
5-(1,4-dimethylcyclohexyl)cyclooctan-1-amine
CID 130412597
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
CID 112563947
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
ethane;methylcyclopropane
CID 158329065
4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine
CID 112562456
4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
CID 115017061

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine (CID 112562280) is 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine is CC1CCC(C2(F)CCC(N)CC2)CC1.
What is the InChIKey of 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is UUVJIFJOULSLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-10-2-4-11(5-3-10)13(14)8-6-12(15)7-9-13/h10-12H,2-9,15H2,1H3.
What are the key properties of 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine?
4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 213.34 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 112562280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).