N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine

C17H31N3 — CID 79539262

IUPACN-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CNC(C2CCCCC2NC2CN3CCC2CC3)C1
InChIInChI=1S/C17H31N3/c1-2-5-16(14(4-1)15-6-3-9-18-15)19-17-12-20-10-7-13(17)8-11-20/h13-19H,1-12H2
InChIKeyXLZWAZQDIVEGPH-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.98
Rot. Bonds3

About N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 79539262) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID79539262
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CNC(C2CCCCC2NC2CN3CCC2CC3)C1
InChIInChI=1S/C17H31N3/c1-2-5-16(14(4-1)15-6-3-9-18-15)19-17-12-20-10-7-13(17)8-11-20/h13-19H,1-12H2
InChIKeyXLZWAZQDIVEGPH-UHFFFAOYSA-N
XLogP1.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-2-ylcyclohexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79536664
N-(2-pyrrolidin-2-ylcyclopentyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79536385
2-methyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79553482
1,3-dimethyl-N-(2-piperidin-2-ylcyclopentyl)piperidin-4-amine
CID 114503181
N-(2-methylcyclopropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544805
2-methyl-N-(2-piperidin-2-ylcyclopentyl)cyclopentan-1-amine
CID 79545248
N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
CID 79544366
2-ethyl-N-(2-piperidin-2-ylcyclohexyl)cyclohexan-1-amine
CID 79541673
3-[(2-piperidin-2-ylcyclohexyl)amino]cyclobutan-1-ol
CID 79552583
N-(3-methylcyclopentyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114543913
[2-[(2-piperidin-2-ylcyclopentyl)amino]cyclohexyl]methanol
CID 106359616
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 79539262) is N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine is C1CNC(C2CCCCC2NC2CN3CCC2CC3)C1.
What is the InChIKey of N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XLZWAZQDIVEGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-5-16(14(4-1)15-6-3-9-18-15)19-17-12-20-10-7-13(17)8-11-20/h13-19H,1-12H2.
What are the key properties of N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 277.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 79539262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).