(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine

C8H15FN2 — CID 105431020

IUPAC(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESNCC1(F)CC2CCN(C2)C1
InChIInChI=1S/C8H15FN2/c9-8(5-10)3-7-1-2-11(4-7)6-8/h7H,1-6,10H2
InChIKeyIRQZONKHDGVIJN-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.38
Rot. Bonds1

About (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine

(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 105431020) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID105431020
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESNCC1(F)CC2CCN(C2)C1
InChIInChI=1S/C8H15FN2/c9-8(5-10)3-7-1-2-11(4-7)6-8/h7H,1-6,10H2
InChIKeyIRQZONKHDGVIJN-UHFFFAOYSA-N
XLogP0.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 105431020) is (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine is NCC1(F)CC2CCN(C2)C1.
What is the InChIKey of (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is IRQZONKHDGVIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8(5-10)3-7-1-2-11(4-7)6-8/h7H,1-6,10H2.
What are the key properties of (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine?
(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 158.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 105431020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).