3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine

C12H22FN — CID 112563947

IUPAC3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
SMILESCC1CCC(C2(F)CC(N)C2)CC1C
InChIInChI=1S/C12H22FN/c1-8-3-4-10(5-9(8)2)12(13)6-11(14)7-12/h8-11H,3-7,14H2,1-2H3
InChIKeyUBVJODJNDLRKSU-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.89
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine

3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine (PubChem CID 112563947) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
PubChem CID112563947
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
SMILESCC1CCC(C2(F)CC(N)C2)CC1C
InChIInChI=1S/C12H22FN/c1-8-3-4-10(5-9(8)2)12(13)6-11(14)7-12/h8-11H,3-7,14H2,1-2H3
InChIKeyUBVJODJNDLRKSU-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
CID 112563346
4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
CID 112562280
3-(3,4-dimethylcyclohexyl)thietan-3-ol
CID 131097107
3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
CID 116539144
3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
CID 80561498
1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64756014
1-(3,4-dimethylcyclohexyl)-4-propylcycloheptan-1-amine
CID 65086896
3-(4-ethylpiperidin-2-yl)-3-fluorocyclobutan-1-amine
CID 112564204
(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 144922740
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)cyclohexan-1-amine
CID 64739420
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine (CID 112563947) is 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine is CC1CCC(C2(F)CC(N)C2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine?
The InChIKey is UBVJODJNDLRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-8-3-4-10(5-9(8)2)12(13)6-11(14)7-12/h8-11H,3-7,14H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine?
3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine has a molecular weight of 199.31 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112563947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).