8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane

C10H19FN2 — CID 105442285

IUPAC8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CNCC1C2(C)F
InChIInChI=1S/C10H19FN2/c1-7(2)13-6-8-4-12-5-9(13)10(8,3)11/h7-9,12H,4-6H2,1-3H3
InChIKeyDPKBTASVWVNRNA-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.03
Rot. Bonds1

About 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane

8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105442285) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105442285
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CNCC1C2(C)F
InChIInChI=1S/C10H19FN2/c1-7(2)13-6-8-4-12-5-9(13)10(8,3)11/h7-9,12H,4-6H2,1-3H3
InChIKeyDPKBTASVWVNRNA-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 121400498
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289
8-methyl-8-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 142386523
ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane
CID 171508934
2-fluoro-1-propan-2-ylaziridine
CID 166046401
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
4-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211470
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine
CID 64839314

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane (CID 105442285) is 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane is CC(C)N1CC2CNCC1C2(C)F.
What is the InChIKey of 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is DPKBTASVWVNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-7(2)13-6-8-4-12-5-9(13)10(8,3)11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 186.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105442285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).