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

C10H19FN2 — CID 170185970

IUPAC8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2CCCF
InChIInChI=1S/C10H19FN2/c1-12-7-9-3-4-10(8-12)13(9)6-2-5-11/h9-10H,2-8H2,1H3
InChIKeySMVCQYYTLQHRFR-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.12
Rot. Bonds3

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

8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 170185970) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID170185970
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2CCCF
InChIInChI=1S/C10H19FN2/c1-12-7-9-3-4-10(8-12)13(9)6-2-5-11/h9-10H,2-8H2,1H3
InChIKeySMVCQYYTLQHRFR-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 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 170185970) is 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane is CN1CC2CCC(C1)N2CCCF.
What is the InChIKey of 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is SMVCQYYTLQHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-7-9-3-4-10(8-12)13(9)6-2-5-11/h9-10H,2-8H2,1H3.
What are the key properties of 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane?
8-(3-fluoropropyl)-3-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 8-(3-fluoropropyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170185970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).