(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine

C12H20FN — CID 164977829

IUPAC(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(F)(C1)C2
InChIInChI=1S/C12H20FN/c1-8(2)9(3)14-10(4)11-5-12(13,6-11)7-11/h8-9,14H,4-7H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeyPMTDIRUMKUUEQU-OIKLOGQESA-N
MW197.30 g/mol
LogP3.03
Rot. Bonds4

About (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine

(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine (PubChem CID 164977829) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
PubChem CID164977829
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine
SMILESC=C(N[C@H](C)C(C)C)C12CC(F)(C1)C2
InChIInChI=1S/C12H20FN/c1-8(2)9(3)14-10(4)11-5-12(13,6-11)7-11/h8-9,14H,4-7H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeyPMTDIRUMKUUEQU-OIKLOGQESA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine (CID 164977829) is (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine is C=C(N[C@H](C)C(C)C)C12CC(F)(C1)C2.
What is the InChIKey of (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
The InChIKey is PMTDIRUMKUUEQU-OIKLOGQESA-N. The full InChI is InChI=1S/C12H20FN/c1-8(2)9(3)14-10(4)11-5-12(13,6-11)7-11/h8-9,14H,4-7H2,1-3H3/t9-,11?,12?/m1/s1.
What are the key properties of (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine?
(2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine has a molecular weight of 197.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 164977829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).