10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride

C18H20ClN — CID 69032798

IUPAC10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
SMILESCl.c1ccc(CN2CC3CC(C2)c2ccccc23)cc1
InChIInChI=1S/C18H19N.ClH/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18;/h1-9,15-16H,10-13H2;1H
InChIKeyRORPISXZYQUJNT-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.20
Rot. Bonds2

About 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride

10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride (PubChem CID 69032798) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride.

Molecular Properties

Compound Name10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
PubChem CID69032798
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
SMILESCl.c1ccc(CN2CC3CC(C2)c2ccccc23)cc1
InChIInChI=1S/C18H19N.ClH/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18;/h1-9,15-16H,10-13H2;1H
InChIKeyRORPISXZYQUJNT-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
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3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
The IUPAC name of 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride (CID 69032798) is 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride.
What is the SMILES notation for 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
The canonical SMILES for 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride is Cl.c1ccc(CN2CC3CC(C2)c2ccccc23)cc1.
What is the InChIKey of 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
The InChIKey is RORPISXZYQUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-2-6-14(7-3-1)11-19-12-15-10-16(13-19)18-9-5-4-8-17(15)18;/h1-9,15-16H,10-13H2;1H.
What are the key properties of 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride?
10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride is sourced from PubChem (CID 69032798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).