3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride

C14H26ClN — CID 126844570

IUPAC3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CCC(CC2CC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C14H25N.ClH/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13;/h11-15H,1-10H2;1H
InChIKeyFYAJFHQJNRKZBD-UHFFFAOYSA-N
MW243.82 g/mol
LogP3.91
Rot. Bonds2

About 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride

3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 126844570) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID126844570
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC Name3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CCC(CC2CC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C14H25N.ClH/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13;/h11-15H,1-10H2;1H
InChIKeyFYAJFHQJNRKZBD-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride (CID 126844570) is 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride is C1CCC(CC2CC3CCC(C2)N3)CC1.Cl.
What is the InChIKey of 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is FYAJFHQJNRKZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N.ClH/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13;/h11-15H,1-10H2;1H.
What are the key properties of 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 243.82 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 126844570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).