(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine

C13H23FN2 — CID 143062711

IUPAC(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine
SMILESCC/C(F)=C\CNCC1CC2CCC(C1)N2
InChIInChI=1S/C13H23FN2/c1-2-11(14)5-6-15-9-10-7-12-3-4-13(8-10)16-12/h5,10,12-13,15-16H,2-4,6-9H2,1H3/b11-5+
InChIKeyKYIISGYSQLHSED-VZUCSPMQSA-N
MW226.34 g/mol
LogP2.37
Rot. Bonds5

About (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine

(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine (PubChem CID 143062711) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine
PubChem CID143062711
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine
SMILESCC/C(F)=C\CNCC1CC2CCC(C1)N2
InChIInChI=1S/C13H23FN2/c1-2-11(14)5-6-15-9-10-7-12-3-4-13(8-10)16-12/h5,10,12-13,15-16H,2-4,6-9H2,1H3/b11-5+
InChIKeyKYIISGYSQLHSED-VZUCSPMQSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-8-azabicyclo[3.2.1]octane
CID 70842087
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
3-[[5-ethenyl-2-ethyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-8-azabicyclo[3.2.1]octane
CID 164867886
3-(Cyclohexen-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106655030
3-(Cyclohepten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106655031
2-[2-(Cyclohepten-1-yl)-2-fluoropropyl]piperidine
CID 106655072
3-Fluoro-3-(2-methylprop-1-enyl)-8-azabicyclo[3.2.1]octane
CID 112564532
3-Fluoro-3-prop-2-enyl-8-azabicyclo[3.2.1]octane
CID 112564696
3-Fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane
CID 112564726
3-(Cycloocten-1-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 113860680
3-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-8-azabicyclo[3.2.1]octane
CID 114490094

Frequently Asked Questions

What is the IUPAC name of (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine?
The IUPAC name of (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine (CID 143062711) is (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine.
What is the SMILES notation for (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine?
The canonical SMILES for (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine is CC/C(F)=C\CNCC1CC2CCC(C1)N2.
What is the InChIKey of (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine?
The InChIKey is KYIISGYSQLHSED-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H23FN2/c1-2-11(14)5-6-15-9-10-7-12-3-4-13(8-10)16-12/h5,10,12-13,15-16H,2-4,6-9H2,1H3/b11-5+.
What are the key properties of (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine?
(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine is sourced from PubChem (CID 143062711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).