9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride

C15H22ClN — CID 3059561

IUPAC9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
SMILESCCCN1CCCC2CC1c1ccccc12.Cl
InChIInChI=1S/C15H21N.ClH/c1-2-9-16-10-5-6-12-11-15(16)14-8-4-3-7-13(12)14;/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3;1H
InChIKeyIHSYBFOMVPXRMP-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.14
Rot. Bonds2

About 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride

9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride (PubChem CID 3059561) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride.

Molecular Properties

Compound Name9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
PubChem CID3059561
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
SMILESCCCN1CCCC2CC1c1ccccc12.Cl
InChIInChI=1S/C15H21N.ClH/c1-2-9-16-10-5-6-12-11-15(16)14-8-4-3-7-13(12)14;/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3;1H
InChIKeyIHSYBFOMVPXRMP-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,8S)-9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
CID 124918346
2-(2-methoxyphenyl)-1-propylpiperidine
CID 102544278
1-[3-(1-propylpyrrolidin-2-yl)-2-pyridinyl]azepane
CID 102541855
2-ethoxy-3-(1-propylpyrrolidin-2-yl)pyridine
CID 102539384
(8R)-9-benzyl-5-chloro-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 146199988
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 146498040
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine
CID 18603883
(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
3-phenyl-1-propylpiperidine
CID 12937946
methyl 3-[(1S)-5-(3-methylphenyl)-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-9-yl]propanoate
CID 122576902
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584

Frequently Asked Questions

What is the IUPAC name of 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride?
The IUPAC name of 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride (CID 3059561) is 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride.
What is the SMILES notation for 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride?
The canonical SMILES for 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride is CCCN1CCCC2CC1c1ccccc12.Cl.
What is the InChIKey of 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride?
The InChIKey is IHSYBFOMVPXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-2-9-16-10-5-6-12-11-15(16)14-8-4-3-7-13(12)14;/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3;1H.
What are the key properties of 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride?
9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride is sourced from PubChem (CID 3059561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).