1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine

C9H17FN2 — CID 168881308

IUPAC1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine
SMILESCNCC12CCCN1CC(F)C2
InChIInChI=1S/C9H17FN2/c1-11-7-9-3-2-4-12(9)6-8(10)5-9/h8,11H,2-7H2,1H3
InChIKeyODYPEHZSGITQQF-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.78
Rot. Bonds2

About 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine

1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine (PubChem CID 168881308) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine
PubChem CID168881308
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine
SMILESCNCC12CCCN1CC(F)C2
InChIInChI=1S/C9H17FN2/c1-11-7-9-3-2-4-12(9)6-8(10)5-9/h8,11H,2-7H2,1H3
InChIKeyODYPEHZSGITQQF-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine (CID 168881308) is 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine is CNCC12CCCN1CC(F)C2.
What is the InChIKey of 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine?
The InChIKey is ODYPEHZSGITQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-11-7-9-3-2-4-12(9)6-8(10)5-9/h8,11H,2-7H2,1H3.
What are the key properties of 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine?
1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine has a molecular weight of 172.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-methylmethanamine is sourced from PubChem (CID 168881308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).