cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine

C11H20FN — CID 126987821

IUPACcis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine
SMILESCC1CC(N[C@@H]2CCC[C@@H]2F)C1C
InChIInChI=1S/C11H20FN/c1-7-6-11(8(7)2)13-10-5-3-4-9(10)12/h7-11,13H,3-6H2,1-2H3/t7?,8?,9-,10+,11?/m0/s1
InChIKeyAHZBVNPIGZENJA-IXKHLQNRSA-N
MW185.29 g/mol
LogP2.51
Rot. Bonds2

About cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine

cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine (PubChem CID 126987821) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine
PubChem CID126987821
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Namecis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine
SMILESCC1CC(N[C@@H]2CCC[C@@H]2F)C1C
InChIInChI=1S/C11H20FN/c1-7-6-11(8(7)2)13-10-5-3-4-9(10)12/h7-11,13H,3-6H2,1-2H3/t7?,8?,9-,10+,11?/m0/s1
InChIKeyAHZBVNPIGZENJA-IXKHLQNRSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine (CID 126987821) is cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine is CC1CC(N[C@@H]2CCC[C@@H]2F)C1C.
What is the InChIKey of cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine?
The InChIKey is AHZBVNPIGZENJA-IXKHLQNRSA-N. The full InChI is InChI=1S/C11H20FN/c1-7-6-11(8(7)2)13-10-5-3-4-9(10)12/h7-11,13H,3-6H2,1-2H3/t7?,8?,9-,10+,11?/m0/s1.
What are the key properties of cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine?
cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2,3-dimethylcyclobutyl)-2-fluorocyclopentan-1-amine is sourced from PubChem (CID 126987821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).