N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C12H22F2N2 — CID 61231368

IUPACN-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CC(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22F2N2/c1-2-5-16(8-12(13)14)11-6-9-3-4-10(7-11)15-9/h9-12,15H,2-8H2,1H3
InChIKeyCCJGBBUBEZWNDN-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.25
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231368) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231368
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC NameN-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CC(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22F2N2/c1-2-5-16(8-12(13)14)11-6-9-3-4-10(7-11)15-9/h9-12,15H,2-8H2,1H3
InChIKeyCCJGBBUBEZWNDN-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231368) is N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CC(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CCJGBBUBEZWNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-2-5-16(8-12(13)14)11-6-9-3-4-10(7-11)15-9/h9-12,15H,2-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 232.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).