3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

C10H19FN2 — CID 178037702

IUPAC3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(CCCF)C2
InChIInChI=1S/C10H19FN2/c1-12-9-3-4-10(12)8-13(7-9)6-2-5-11/h9-10H,2-8H2,1H3
InChIKeyCWYVWSMANNYVPU-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.12
Rot. Bonds3

About 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 178037702) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID178037702
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(CCCF)C2
InChIInChI=1S/C10H19FN2/c1-12-9-3-4-10(12)8-13(7-9)6-2-5-11/h9-10H,2-8H2,1H3
InChIKeyCWYVWSMANNYVPU-UHFFFAOYSA-N
XLogP1.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 178037702) is 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CN(CCCF)C2.
What is the InChIKey of 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is CWYVWSMANNYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-9-3-4-10(12)8-13(7-9)6-2-5-11/h9-10H,2-8H2,1H3.
What are the key properties of 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 186.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 178037702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).