3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride

C14H22Cl2N2 — CID 50896418

IUPAC3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCN1C2CCC1CN(Cc1ccccc1)C2.Cl.Cl
InChIInChI=1S/C14H20N2.2ClH/c1-15-13-7-8-14(15)11-16(10-13)9-12-5-3-2-4-6-12;;/h2-6,13-14H,7-11H2,1H3;2*1H
InChIKeyNLZQZGPPOVSFEB-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.81
Rot. Bonds2

About 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride

3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 50896418) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID50896418
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCN1C2CCC1CN(Cc1ccccc1)C2.Cl.Cl
InChIInChI=1S/C14H20N2.2ClH/c1-15-13-7-8-14(15)11-16(10-13)9-12-5-3-2-4-6-12;;/h2-6,13-14H,7-11H2,1H3;2*1H
InChIKeyNLZQZGPPOVSFEB-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanol;bis(2-phenylacetic acid)
CID 21119359
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(2S)-1-[(1R,5R)-3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-phenylbutan-1-one
CID 98193939
[4-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]phenyl]methanamine
CID 84794838
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 23619896
1-benzylazetidine-3-carbonitrile
CID 19814762
1-benzyl-4-cyclopropylpiperazine
CID 69195043
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride (CID 50896418) is 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride is CN1C2CCC1CN(Cc1ccccc1)C2.Cl.Cl.
What is the InChIKey of 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is NLZQZGPPOVSFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.2ClH/c1-15-13-7-8-14(15)11-16(10-13)9-12-5-3-2-4-6-12;;/h2-6,13-14H,7-11H2,1H3;2*1H.
What are the key properties of 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 50896418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).