N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride

C15H31ClN2 — CID 173303480

IUPACN-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride
SMILESCCCCC(CCC)NC1CC2CCN1CC2.Cl
InChIInChI=1S/C15H30N2.ClH/c1-3-5-7-14(6-4-2)16-15-12-13-8-10-17(15)11-9-13;/h13-16H,3-12H2,1-2H3;1H
InChIKeyZXZDVZSEZAFSNY-UHFFFAOYSA-N
MW274.88 g/mol
LogP3.80
Rot. Bonds7

About N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride

N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride (PubChem CID 173303480) has the molecular formula C15H31ClN2 and a molecular weight of 274.88 g/mol. Its IUPAC name is N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride
PubChem CID173303480
Molecular FormulaC15H31ClN2
Molecular Weight274.88 g/mol
Exact Mass274.22
IUPAC NameN-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride
SMILESCCCCC(CCC)NC1CC2CCN1CC2.Cl
InChIInChI=1S/C15H30N2.ClH/c1-3-5-7-14(6-4-2)16-15-12-13-8-10-17(15)11-9-13;/h13-16H,3-12H2,1-2H3;1H
InChIKeyZXZDVZSEZAFSNY-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride?
The IUPAC name of N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride (CID 173303480) is N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride.
What is the SMILES notation for N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride?
The canonical SMILES for N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride is CCCCC(CCC)NC1CC2CCN1CC2.Cl.
What is the InChIKey of N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride?
The InChIKey is ZXZDVZSEZAFSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2.ClH/c1-3-5-7-14(6-4-2)16-15-12-13-8-10-17(15)11-9-13;/h13-16H,3-12H2,1-2H3;1H.
What are the key properties of N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride?
N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride has a molecular weight of 274.88 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-1-azabicyclo[2.2.2]octan-2-amine;hydrochloride is sourced from PubChem (CID 173303480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).